1-[(3,3-difluorocyclopentyl)methyl]-3,3-dimethylcyclohexan-1-ol

C14H24F2O — CID 114224490

IUPAC1-[(3,3-difluorocyclopentyl)methyl]-3,3-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCC(O)(CC2CCC(F)(F)C2)C1
InChIInChI=1S/C14H24F2O/c1-12(2)5-3-6-13(17,10-12)8-11-4-7-14(15,16)9-11/h11,17H,3-10H2,1-2H3
InChIKeyRTWVUHRTSVBROW-UHFFFAOYSA-N
MW246.34 g/mol
LogP4.14
Rot. Bonds2

About 1-[(3,3-difluorocyclopentyl)methyl]-3,3-dimethylcyclohexan-1-ol

1-[(3,3-difluorocyclopentyl)methyl]-3,3-dimethylcyclohexan-1-ol (PubChem CID 114224490) has the molecular formula C14H24F2O and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclopentyl)methyl]-3,3-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3,3-difluorocyclopentyl)methyl]-3,3-dimethylcyclohexan-1-ol
PubChem CID114224490
Molecular FormulaC14H24F2O
Molecular Weight246.34 g/mol
Exact Mass246.18
IUPAC Name1-[(3,3-difluorocyclopentyl)methyl]-3,3-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCC(O)(CC2CCC(F)(F)C2)C1
InChIInChI=1S/C14H24F2O/c1-12(2)5-3-6-13(17,10-12)8-11-4-7-14(15,16)9-11/h11,17H,3-10H2,1-2H3
InChIKeyRTWVUHRTSVBROW-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
CID 65153619
1-[(3,3-difluorocyclopentyl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 114224505
1-[(3,3-difluorocyclohexyl)methyl]-3-methylcyclohexan-1-ol
CID 114224437
3-[(3,3-difluorocyclohexyl)methyl]azetidin-3-ol
CID 130487410
1-[[(3,3-difluorocyclopentyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 114223847
3-[(3,3-difluorocyclopentyl)methyl]-3-methylazetidine
CID 130487658
1-(aminomethyl)-3,3-dimethylcyclohexan-1-ol
CID 46835727
N-[[(1S)-1-hydroxy-3,3-dimethylcyclohexyl]methyl]cyclobutanecarboxamide
CID 100650712
1-(3,3-difluorocyclopentyl)propan-2-ol
CID 130487406
1-[(3,3-difluorocyclohexyl)methyl]-2,3-dimethylcyclohexan-1-ol
CID 114224493
1-(3,3-difluorocyclopentyl)-3-methylbutan-2-one
CID 126974544
(4,4-difluorocyclohexyl)methanol;ethane
CID 162726117

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluorocyclopentyl)methyl]-3,3-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[(3,3-difluorocyclopentyl)methyl]-3,3-dimethylcyclohexan-1-ol (CID 114224490) is 1-[(3,3-difluorocyclopentyl)methyl]-3,3-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(3,3-difluorocyclopentyl)methyl]-3,3-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[(3,3-difluorocyclopentyl)methyl]-3,3-dimethylcyclohexan-1-ol is CC1(C)CCCC(O)(CC2CCC(F)(F)C2)C1.
What is the InChIKey of 1-[(3,3-difluorocyclopentyl)methyl]-3,3-dimethylcyclohexan-1-ol?
The InChIKey is RTWVUHRTSVBROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2O/c1-12(2)5-3-6-13(17,10-12)8-11-4-7-14(15,16)9-11/h11,17H,3-10H2,1-2H3.
What are the key properties of 1-[(3,3-difluorocyclopentyl)methyl]-3,3-dimethylcyclohexan-1-ol?
1-[(3,3-difluorocyclopentyl)methyl]-3,3-dimethylcyclohexan-1-ol has a molecular weight of 246.34 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluorocyclopentyl)methyl]-3,3-dimethylcyclohexan-1-ol is sourced from PubChem (CID 114224490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).