1-[4-(4,4-difluorocyclohexyl)-3-methylbutyl]-2-[(2-fluorophenyl)methoxy]benzene

C24H29F3O — CID 159673721

IUPAC1-[4-(4,4-difluorocyclohexyl)-3-methylbutyl]-2-[(2-fluorophenyl)methoxy]benzene
SMILESCC(CCc1ccccc1OCc1ccccc1F)CC1CCC(F)(F)CC1
InChIInChI=1S/C24H29F3O/c1-18(16-19-12-14-24(26,27)15-13-19)10-11-20-6-3-5-9-23(20)28-17-21-7-2-4-8-22(21)25/h2-9,18-19H,10-17H2,1H3
InChIKeyMUIFOPNXJMKYLC-UHFFFAOYSA-N
MW390.49 g/mol
LogP7.19
Rot. Bonds8

About 1-[4-(4,4-difluorocyclohexyl)-3-methylbutyl]-2-[(2-fluorophenyl)methoxy]benzene

1-[4-(4,4-difluorocyclohexyl)-3-methylbutyl]-2-[(2-fluorophenyl)methoxy]benzene (PubChem CID 159673721) has the molecular formula C24H29F3O and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-[4-(4,4-difluorocyclohexyl)-3-methylbutyl]-2-[(2-fluorophenyl)methoxy]benzene.

Molecular Properties

Compound Name1-[4-(4,4-difluorocyclohexyl)-3-methylbutyl]-2-[(2-fluorophenyl)methoxy]benzene
PubChem CID159673721
Molecular FormulaC24H29F3O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name1-[4-(4,4-difluorocyclohexyl)-3-methylbutyl]-2-[(2-fluorophenyl)methoxy]benzene
SMILESCC(CCc1ccccc1OCc1ccccc1F)CC1CCC(F)(F)CC1
InChIInChI=1S/C24H29F3O/c1-18(16-19-12-14-24(26,27)15-13-19)10-11-20-6-3-5-9-23(20)28-17-21-7-2-4-8-22(21)25/h2-9,18-19H,10-17H2,1H3
InChIKeyMUIFOPNXJMKYLC-UHFFFAOYSA-N
XLogP7.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-cyclohexyl-3-methylbutyl)-2-(cyclopropylmethoxy)benzene
CID 160519985
1-[2-(4-cyclohexyl-3-methylbutyl)phenoxy]-3-methylbutan-2-ol
CID 160819489
1-[(4,4-difluorocyclohexyl)methoxy]-2-ethylbenzene
CID 166839557
methyl 4-[2-(4-cyclohexyl-3-methylbutyl)phenoxy]butanoate
CID 158877214
1-[2-fluoro-6-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63935120
1-[(2-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63411451
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207210
2-[(2-fluorophenyl)methoxy]benzaldehyde
CID 2063523
[2-[(2-fluorophenyl)methoxy]phenyl]boronic acid
CID 43327857
N-ethyl-1-[2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 43279629
4-(2-fluorophenyl)butan-2-ol
CID 12618518
1-fluoro-2-[2-methyl-3-[4-[1-[4-(2-methylpropyl)cyclohexyl]propan-2-yl]cyclohexyl]propyl]benzene
CID 167078808

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,4-difluorocyclohexyl)-3-methylbutyl]-2-[(2-fluorophenyl)methoxy]benzene?
The IUPAC name of 1-[4-(4,4-difluorocyclohexyl)-3-methylbutyl]-2-[(2-fluorophenyl)methoxy]benzene (CID 159673721) is 1-[4-(4,4-difluorocyclohexyl)-3-methylbutyl]-2-[(2-fluorophenyl)methoxy]benzene.
What is the SMILES notation for 1-[4-(4,4-difluorocyclohexyl)-3-methylbutyl]-2-[(2-fluorophenyl)methoxy]benzene?
The canonical SMILES for 1-[4-(4,4-difluorocyclohexyl)-3-methylbutyl]-2-[(2-fluorophenyl)methoxy]benzene is CC(CCc1ccccc1OCc1ccccc1F)CC1CCC(F)(F)CC1.
What is the InChIKey of 1-[4-(4,4-difluorocyclohexyl)-3-methylbutyl]-2-[(2-fluorophenyl)methoxy]benzene?
The InChIKey is MUIFOPNXJMKYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3O/c1-18(16-19-12-14-24(26,27)15-13-19)10-11-20-6-3-5-9-23(20)28-17-21-7-2-4-8-22(21)25/h2-9,18-19H,10-17H2,1H3.
What are the key properties of 1-[4-(4,4-difluorocyclohexyl)-3-methylbutyl]-2-[(2-fluorophenyl)methoxy]benzene?
1-[4-(4,4-difluorocyclohexyl)-3-methylbutyl]-2-[(2-fluorophenyl)methoxy]benzene has a molecular weight of 390.49 g/mol, XLogP of 7.19, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,4-difluorocyclohexyl)-3-methylbutyl]-2-[(2-fluorophenyl)methoxy]benzene is sourced from PubChem (CID 159673721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).