1,3-difluoro-2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene

C17H24F2O — CID 21025337

IUPAC1,3-difluoro-2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene
SMILESCOC1(Cc2c(F)cccc2F)CCC(C(C)C)CC1
InChIInChI=1S/C17H24F2O/c1-12(2)13-7-9-17(20-3,10-8-13)11-14-15(18)5-4-6-16(14)19/h4-6,12-13H,7-11H2,1-3H3
InChIKeyUZPCWRQDDDJFIU-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.74
Rot. Bonds4

About 1,3-difluoro-2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene

1,3-difluoro-2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene (PubChem CID 21025337) has the molecular formula C17H24F2O and a molecular weight of 282.37 g/mol. Its IUPAC name is 1,3-difluoro-2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene.

Molecular Properties

Compound Name1,3-difluoro-2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene
PubChem CID21025337
Molecular FormulaC17H24F2O
Molecular Weight282.37 g/mol
Exact Mass282.18
IUPAC Name1,3-difluoro-2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene
SMILESCOC1(Cc2c(F)cccc2F)CCC(C(C)C)CC1
InChIInChI=1S/C17H24F2O/c1-12(2)13-7-9-17(20-3,10-8-13)11-14-15(18)5-4-6-16(14)19/h4-6,12-13H,7-11H2,1-3H3
InChIKeyUZPCWRQDDDJFIU-UHFFFAOYSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 55188464
1-[(2-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63411451
2-[2-chloro-3-(1-methoxycyclobutyl)propyl]-1,3-difluorobenzene
CID 103558151
1-[(2,6-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 114931200
N-[1-(2,6-difluorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine
CID 63449895
2-[(3-bromo-1-methylcyclopentyl)methyl]-1,3-difluorobenzene
CID 114934515
2-(2,6-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 114931718
1,3-difluoro-2-(4-propan-2-ylcyclohexyl)benzene
CID 176552656
1-[(2,6-difluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol
CID 114931035
[1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine
CID 106273588
2-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 114932736
1,4-difluoro-2-[(1-methoxy-4-methylcyclohexyl)methyl]benzene
CID 142809976

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene?
The IUPAC name of 1,3-difluoro-2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene (CID 21025337) is 1,3-difluoro-2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene.
What is the SMILES notation for 1,3-difluoro-2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene?
The canonical SMILES for 1,3-difluoro-2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene is COC1(Cc2c(F)cccc2F)CCC(C(C)C)CC1.
What is the InChIKey of 1,3-difluoro-2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene?
The InChIKey is UZPCWRQDDDJFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2O/c1-12(2)13-7-9-17(20-3,10-8-13)11-14-15(18)5-4-6-16(14)19/h4-6,12-13H,7-11H2,1-3H3.
What are the key properties of 1,3-difluoro-2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene?
1,3-difluoro-2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene has a molecular weight of 282.37 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene is sourced from PubChem (CID 21025337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).