2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene

C19H26F2O — CID 18344262

IUPAC2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene
SMILESCOc1ccc(C2CCC(C3CCC(F)CC3)CC2)cc1F
InChIInChI=1S/C19H26F2O/c1-22-19-11-8-16(12-18(19)21)15-4-2-13(3-5-15)14-6-9-17(20)10-7-14/h8,11-15,17H,2-7,9-10H2,1H3
InChIKeyFKWQXKNUYJENRM-UHFFFAOYSA-N
MW308.41 g/mol
LogP5.64
Rot. Bonds3

About 2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene

2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene (PubChem CID 18344262) has the molecular formula C19H26F2O and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene.

Molecular Properties

Compound Name2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene
PubChem CID18344262
Molecular FormulaC19H26F2O
Molecular Weight308.41 g/mol
Exact Mass308.20
IUPAC Name2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene
SMILESCOc1ccc(C2CCC(C3CCC(F)CC3)CC2)cc1F
InChIInChI=1S/C19H26F2O/c1-22-19-11-8-16(12-18(19)21)15-4-2-13(3-5-15)14-6-9-17(20)10-7-14/h8,11-15,17H,2-7,9-10H2,1H3
InChIKeyFKWQXKNUYJENRM-UHFFFAOYSA-N
XLogP5.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.41
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoroethyl)-4-propoxycyclohexane;2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene;hydrofluoride
CID 158026848
3-(3-fluoro-4-methoxyphenyl)azetidine
CID 82280860
2-fluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 144809449
azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558
2-fluoro-1-methoxy-4-[4-(4-methoxycyclohexyl)phenyl]benzene
CID 144809360
3-(3-fluoro-4-methoxyphenyl)cyclohexan-1-ol
CID 64516764
N-ethyl-3-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine
CID 64504260
2-fluoro-1-(fluoromethoxy)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;fluoroform
CID 157103030
2-[4-(3-fluoro-4-methoxyphenyl)phenyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384938
4-(2,2-dimethylcyclopropyl)-2-fluoro-1-methoxybenzene
CID 165178047
1-(difluoromethoxy)-2-fluoro-4-[2-fluoro-4-(4-fluorocyclohexyl)phenyl]benzene
CID 18344091
2-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837275

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene?
The IUPAC name of 2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene (CID 18344262) is 2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene.
What is the SMILES notation for 2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene?
The canonical SMILES for 2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene is COc1ccc(C2CCC(C3CCC(F)CC3)CC2)cc1F.
What is the InChIKey of 2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene?
The InChIKey is FKWQXKNUYJENRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2O/c1-22-19-11-8-16(12-18(19)21)15-4-2-13(3-5-15)14-6-9-17(20)10-7-14/h8,11-15,17H,2-7,9-10H2,1H3.
What are the key properties of 2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene?
2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene has a molecular weight of 308.41 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene is sourced from PubChem (CID 18344262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).