1,3-difluoro-5-(4-methylcyclohexyl)-2-phenylbenzene

C19H20F2 — CID 18720868

IUPAC1,3-difluoro-5-(4-methylcyclohexyl)-2-phenylbenzene
SMILESCC1CCC(c2cc(F)c(-c3ccccc3)c(F)c2)CC1
InChIInChI=1S/C19H20F2/c1-13-7-9-14(10-8-13)16-11-17(20)19(18(21)12-16)15-5-3-2-4-6-15/h2-6,11-14H,7-10H2,1H3
InChIKeyQGOXBKANYAACFU-UHFFFAOYSA-N
MW286.37 g/mol
LogP5.93
Rot. Bonds2

About 1,3-difluoro-5-(4-methylcyclohexyl)-2-phenylbenzene

1,3-difluoro-5-(4-methylcyclohexyl)-2-phenylbenzene (PubChem CID 18720868) has the molecular formula C19H20F2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1,3-difluoro-5-(4-methylcyclohexyl)-2-phenylbenzene.

Molecular Properties

Compound Name1,3-difluoro-5-(4-methylcyclohexyl)-2-phenylbenzene
PubChem CID18720868
Molecular FormulaC19H20F2
Molecular Weight286.37 g/mol
Exact Mass286.15
IUPAC Name1,3-difluoro-5-(4-methylcyclohexyl)-2-phenylbenzene
SMILESCC1CCC(c2cc(F)c(-c3ccccc3)c(F)c2)CC1
InChIInChI=1S/C19H20F2/c1-13-7-9-14(10-8-13)16-11-17(20)19(18(21)12-16)15-5-3-2-4-6-15/h2-6,11-14H,7-10H2,1H3
InChIKeyQGOXBKANYAACFU-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.37
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-difluoro-2-(3-fluorophenyl)-5-(4-methylcyclohexyl)benzene
CID 18720860
1-(4-methylcyclohexyl)-4-phenylbenzene
CID 18720904
2-(3,5-difluorobenzene-4-id-1-yl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium
CID 59931299
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 122472506
1,3-difluoro-5-(4-methylcyclohexyl)benzene
CID 18720773
(2R,4aR,8aR)-2-[4-(4-ethylphenyl)-3,5-difluorophenyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20808978
2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol
CID 71101076
2-[4-(3,5-difluorophenyl)-3,5-difluorophenyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22382914
2-(2,2-difluoroethenoxy)-5-[2,6-difluoro-4-(4-methylcyclohexyl)phenyl]-1,3-difluorobenzene;methane;molecular hydrogen
CID 161191051
1-fluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen
CID 158127728
2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-[(2S)-2-phenylpropyl]cyclohexyl]benzene
CID 58698614
1,3-difluoro-5-(4-methylcyclohexyl)-2-(trifluoromethoxy)benzene
CID 20591337

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-(4-methylcyclohexyl)-2-phenylbenzene?
The IUPAC name of 1,3-difluoro-5-(4-methylcyclohexyl)-2-phenylbenzene (CID 18720868) is 1,3-difluoro-5-(4-methylcyclohexyl)-2-phenylbenzene.
What is the SMILES notation for 1,3-difluoro-5-(4-methylcyclohexyl)-2-phenylbenzene?
The canonical SMILES for 1,3-difluoro-5-(4-methylcyclohexyl)-2-phenylbenzene is CC1CCC(c2cc(F)c(-c3ccccc3)c(F)c2)CC1.
What is the InChIKey of 1,3-difluoro-5-(4-methylcyclohexyl)-2-phenylbenzene?
The InChIKey is QGOXBKANYAACFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2/c1-13-7-9-14(10-8-13)16-11-17(20)19(18(21)12-16)15-5-3-2-4-6-15/h2-6,11-14H,7-10H2,1H3.
What are the key properties of 1,3-difluoro-5-(4-methylcyclohexyl)-2-phenylbenzene?
1,3-difluoro-5-(4-methylcyclohexyl)-2-phenylbenzene has a molecular weight of 286.37 g/mol, XLogP of 5.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-(4-methylcyclohexyl)-2-phenylbenzene is sourced from PubChem (CID 18720868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).