1-fluoro-3-methylbenzene;bis(1-methoxy-2-methylbenzene);bis(1-methoxy-3-methylbenzene);bis(2-methylfuran);2-methylpyridine;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene

C71H80F7NO7 — CID 159232502

IUPAC1-fluoro-3-methylbenzene;bis(1-methoxy-2-methylbenzene);bis(1-methoxy-3-methylbenzene);bis(2-methylfuran);2-methylpyridine;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene
SMILESCOc1cccc(C)c1.COc1cccc(C)c1.COc1ccccc1C.COc1ccccc1C.Cc1cccc(F)c1.Cc1ccccc1C(F)(F)F.Cc1ccccc1OC(F)(F)F.Cc1ccccn1.Cc1ccco1.Cc1ccco1
InChIInChI=1S/C8H7F3O.C8H7F3.4C8H10O.C7H7F.C6H7N.2C5H6O/c1-6-4-2-3-5-7(6)12-8(9,10)11;1-6-4-2-3-5-7(6)8(9,10)11;2*1-7-4-3-5-8(6-7)9-2;2*1-7-5-3-4-6-8(7)9-2;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7-6;2*1-5-3-2-4-6-5/h2-5H,1H3;2-5H,1H3;4*3-6H,1-2H3;2-5H,1H3;2-5H,1H3;2*2-4H,1H3
InChIKeyKTBUEYHGGHLLPI-UHFFFAOYSA-N
MW1192.41 g/mol
LogP20.62
Rot. Bonds5

About 1-fluoro-3-methylbenzene;bis(1-methoxy-2-methylbenzene);bis(1-methoxy-3-methylbenzene);bis(2-methylfuran);2-methylpyridine;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene

1-fluoro-3-methylbenzene;bis(1-methoxy-2-methylbenzene);bis(1-methoxy-3-methylbenzene);bis(2-methylfuran);2-methylpyridine;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene (PubChem CID 159232502) has the molecular formula C71H80F7NO7 and a molecular weight of 1192.41 g/mol. Its IUPAC name is 1-fluoro-3-methylbenzene;bis(1-methoxy-2-methylbenzene);bis(1-methoxy-3-methylbenzene);bis(2-methylfuran);2-methylpyridine;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-fluoro-3-methylbenzene;bis(1-methoxy-2-methylbenzene);bis(1-methoxy-3-methylbenzene);bis(2-methylfuran);2-methylpyridine;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene
PubChem CID159232502
Molecular FormulaC71H80F7NO7
Molecular Weight1192.41 g/mol
Exact Mass1191.58
IUPAC Name1-fluoro-3-methylbenzene;bis(1-methoxy-2-methylbenzene);bis(1-methoxy-3-methylbenzene);bis(2-methylfuran);2-methylpyridine;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene
SMILESCOc1cccc(C)c1.COc1cccc(C)c1.COc1ccccc1C.COc1ccccc1C.Cc1cccc(F)c1.Cc1ccccc1C(F)(F)F.Cc1ccccc1OC(F)(F)F.Cc1ccccn1.Cc1ccco1.Cc1ccco1
InChIInChI=1S/C8H7F3O.C8H7F3.4C8H10O.C7H7F.C6H7N.2C5H6O/c1-6-4-2-3-5-7(6)12-8(9,10)11;1-6-4-2-3-5-7(6)8(9,10)11;2*1-7-4-3-5-8(6-7)9-2;2*1-7-5-3-4-6-8(7)9-2;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7-6;2*1-5-3-2-4-6-5/h2-5H,1H3;2-5H,1H3;4*3-6H,1-2H3;2-5H,1H3;2-5H,1H3;2*2-4H,1H3
InChIKeyKTBUEYHGGHLLPI-UHFFFAOYSA-N
XLogP20.62
TPSA85.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001192.41
LogP ≤ 520.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-fluoro-3-methylbenzene;bis(1-methoxy-2-methylbenzene);bis(1-methoxy-3-methylbenzene);bis(2-methylfuran);2-methylpyridine;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene with MolForge

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Related Compounds

2-(4,4'-Di-tert-butyl-2'-(5-fluoropyridin-2-yl)-5'-(furan-2-yl)-[1,1'-biphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908886
6,6'-(4,4'-Di-tert-butyl-5,5'-di(furan-2-yl)-[1,1'-biphenyl]-2,2'-diyl)bis(3-fluoropyridine)
CID 155908925
2-[4-[4-(4-fluoro-1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-[2-(trifluoromethyl)phenyl]butan-2-yl]pyridine
CID 22961052
3-(3,5-Difluorophenyl)-6-(2-(pyridin-2-yl)ethoxy)-2-(pyridin-3-yl)-1H-inden-1-one
CID 51001937
[4-[Difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-[2-fluoro-4-[4-(5-pentyl-2-pyridinyl)phenyl]phenyl]methanone
CID 58383542
[4-[4-[Difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-[5-(4-pentylcyclohexyl)-2-pyridinyl]methanone
CID 58383762
3-[(5E)-5-[[5-[3-fluoro-2-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
CID 59168870
1-(4-Cyclohexyl-3-pyridin-2-ylbutyl)-5-(4-fluoro-1-benzofuran-7-yl)-2,3,4,7-tetrahydroazepine
CID 59915410
3-[5-[[5-[3-fluoro-2-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
CID 72236506
2-[4-[3-[(2,4-Difluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]benzaldehyde
CID 87202409
2-[4-[3-[(3,4-Difluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]benzaldehyde
CID 87202418
2-[4-[3-[(4-Fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]benzaldehyde
CID 87202434

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methylbenzene;bis(1-methoxy-2-methylbenzene);bis(1-methoxy-3-methylbenzene);bis(2-methylfuran);2-methylpyridine;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene?
The IUPAC name of 1-fluoro-3-methylbenzene;bis(1-methoxy-2-methylbenzene);bis(1-methoxy-3-methylbenzene);bis(2-methylfuran);2-methylpyridine;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene (CID 159232502) is 1-fluoro-3-methylbenzene;bis(1-methoxy-2-methylbenzene);bis(1-methoxy-3-methylbenzene);bis(2-methylfuran);2-methylpyridine;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-fluoro-3-methylbenzene;bis(1-methoxy-2-methylbenzene);bis(1-methoxy-3-methylbenzene);bis(2-methylfuran);2-methylpyridine;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-fluoro-3-methylbenzene;bis(1-methoxy-2-methylbenzene);bis(1-methoxy-3-methylbenzene);bis(2-methylfuran);2-methylpyridine;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene is COc1cccc(C)c1.COc1cccc(C)c1.COc1ccccc1C.COc1ccccc1C.Cc1cccc(F)c1.Cc1ccccc1C(F)(F)F.Cc1ccccc1OC(F)(F)F.Cc1ccccn1.Cc1ccco1.Cc1ccco1.
What is the InChIKey of 1-fluoro-3-methylbenzene;bis(1-methoxy-2-methylbenzene);bis(1-methoxy-3-methylbenzene);bis(2-methylfuran);2-methylpyridine;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene?
The InChIKey is KTBUEYHGGHLLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O.C8H7F3.4C8H10O.C7H7F.C6H7N.2C5H6O/c1-6-4-2-3-5-7(6)12-8(9,10)11;1-6-4-2-3-5-7(6)8(9,10)11;2*1-7-4-3-5-8(6-7)9-2;2*1-7-5-3-4-6-8(7)9-2;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7-6;2*1-5-3-2-4-6-5/h2-5H,1H3;2-5H,1H3;4*3-6H,1-2H3;2-5H,1H3;2-5H,1H3;2*2-4H,1H3.
What are the key properties of 1-fluoro-3-methylbenzene;bis(1-methoxy-2-methylbenzene);bis(1-methoxy-3-methylbenzene);bis(2-methylfuran);2-methylpyridine;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene?
1-fluoro-3-methylbenzene;bis(1-methoxy-2-methylbenzene);bis(1-methoxy-3-methylbenzene);bis(2-methylfuran);2-methylpyridine;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene has a molecular weight of 1192.41 g/mol, XLogP of 20.62, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methylbenzene;bis(1-methoxy-2-methylbenzene);bis(1-methoxy-3-methylbenzene);bis(2-methylfuran);2-methylpyridine;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 159232502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).