1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1,2-dimethoxy-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;methane

C42H58F4O4 — CID 160777533

IUPAC1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1,2-dimethoxy-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;methane
SMILESC.COc1cc(F)ccc1C(C)C.COc1ccc(C(C)C)c(F)c1.COc1ccc(C(C)C)cc1OC.Cc1c(F)cc(C(C)C)cc1F
InChIInChI=1S/C11H16O2.C10H12F2.2C10H13FO.CH4/c1-8(2)9-5-6-10(12-3)11(7-9)13-4;1-6(2)8-4-9(11)7(3)10(12)5-8;1-7(2)9-5-4-8(12-3)6-10(9)11;1-7(2)9-5-4-8(11)6-10(9)12-3;/h5-8H,1-4H3;4-6H,1-3H3;2*4-7H,1-3H3;1H4
InChIKeySADLHSUORWABFE-UHFFFAOYSA-N
MW702.91 g/mol
LogP12.78
Rot. Bonds8

About 1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1,2-dimethoxy-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;methane

1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1,2-dimethoxy-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;methane (PubChem CID 160777533) has the molecular formula C42H58F4O4 and a molecular weight of 702.91 g/mol. Its IUPAC name is 1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1,2-dimethoxy-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;methane.

Molecular Properties

Compound Name1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1,2-dimethoxy-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;methane
PubChem CID160777533
Molecular FormulaC42H58F4O4
Molecular Weight702.91 g/mol
Exact Mass702.43
IUPAC Name1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1,2-dimethoxy-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;methane
SMILESC.COc1cc(F)ccc1C(C)C.COc1ccc(C(C)C)c(F)c1.COc1ccc(C(C)C)cc1OC.Cc1c(F)cc(C(C)C)cc1F
InChIInChI=1S/C11H16O2.C10H12F2.2C10H13FO.CH4/c1-8(2)9-5-6-10(12-3)11(7-9)13-4;1-6(2)8-4-9(11)7(3)10(12)5-8;1-7(2)9-5-4-8(12-3)6-10(9)11;1-7(2)9-5-4-8(11)6-10(9)12-3;/h5-8H,1-4H3;4-6H,1-3H3;2*4-7H,1-3H3;1H4
InChIKeySADLHSUORWABFE-UHFFFAOYSA-N
XLogP12.78
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.91
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1,2-dimethoxy-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;methane with MolForge

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Launch Full Analysis

Related Compounds

2-fluoro-1-methoxy-3-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene
CID 158675389
1-[1-(4-fluorophenyl)ethyl]-2,4-dimethoxybenzene
CID 132933151
1,3-dimethyl-5-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene
CID 158784558
1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene
CID 158244834
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43766662
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
1,2,3-trifluoro-5-(3-methoxy-4-propan-2-ylphenoxy)benzene
CID 177076526
1,3-difluoro-2,5-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2-fluoro-1,4-di(propan-2-yl)benzene
CID 157344584
(2-chloro-4-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 61081471
1-(2-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81288450
ethane;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene
CID 178128106
2-fluoro-1-(4-fluorophenoxy)-4-methoxybenzene
CID 174755555

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1,2-dimethoxy-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;methane?
The IUPAC name of 1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1,2-dimethoxy-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;methane (CID 160777533) is 1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1,2-dimethoxy-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;methane.
What is the SMILES notation for 1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1,2-dimethoxy-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;methane?
The canonical SMILES for 1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1,2-dimethoxy-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;methane is C.COc1cc(F)ccc1C(C)C.COc1ccc(C(C)C)c(F)c1.COc1ccc(C(C)C)cc1OC.Cc1c(F)cc(C(C)C)cc1F.
What is the InChIKey of 1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1,2-dimethoxy-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;methane?
The InChIKey is SADLHSUORWABFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2.C10H12F2.2C10H13FO.CH4/c1-8(2)9-5-6-10(12-3)11(7-9)13-4;1-6(2)8-4-9(11)7(3)10(12)5-8;1-7(2)9-5-4-8(12-3)6-10(9)11;1-7(2)9-5-4-8(11)6-10(9)12-3;/h5-8H,1-4H3;4-6H,1-3H3;2*4-7H,1-3H3;1H4.
What are the key properties of 1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1,2-dimethoxy-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;methane?
1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1,2-dimethoxy-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;methane has a molecular weight of 702.91 g/mol, XLogP of 12.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1,2-dimethoxy-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;methane is sourced from PubChem (CID 160777533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).