3-(4,4-difluorocyclohexyl)propan-1-ol

C9H16F2O — CID 122552790

IUPAC3-(4,4-difluorocyclohexyl)propan-1-ol
SMILESOCCCC1CCC(F)(F)CC1
InChIInChI=1S/C9H16F2O/c10-9(11)5-3-8(4-6-9)2-1-7-12/h8,12H,1-7H2
InChIKeySWXYDJCBHIPAKI-UHFFFAOYSA-N
MW178.22 g/mol
LogP2.58
Rot. Bonds3

About 3-(4,4-difluorocyclohexyl)propan-1-ol

3-(4,4-difluorocyclohexyl)propan-1-ol (PubChem CID 122552790) has the molecular formula C9H16F2O and a molecular weight of 178.22 g/mol. Its IUPAC name is 3-(4,4-difluorocyclohexyl)propan-1-ol.

Molecular Properties

Compound Name3-(4,4-difluorocyclohexyl)propan-1-ol
PubChem CID122552790
Molecular FormulaC9H16F2O
Molecular Weight178.22 g/mol
Exact Mass178.12
IUPAC Name3-(4,4-difluorocyclohexyl)propan-1-ol
SMILESOCCCC1CCC(F)(F)CC1
InChIInChI=1S/C9H16F2O/c10-9(11)5-3-8(4-6-9)2-1-7-12/h8,12H,1-7H2
InChIKeySWXYDJCBHIPAKI-UHFFFAOYSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Cyclohexylethanol
CID 20508
3-Cyclohexyl-1-propanol
CID 70763
2-Methyl 5-cyclohexylpentanol
CID 44192644
6-Cyclohexanehexanol
CID 20364
2-(Trifluoromethyl)cyclohexanol
CID 2777485
1-Cyclohexyl-2,2,2-trifluoroethan-1-ol
CID 10943092
Cyclohexanebutanol
CID 78182
(4,4-Difluorocyclohexyl)methanol
CID 21184133
3-Cyclohexyl-2-methylpropan-1-ol
CID 10797012
Cyclohexanepentanol
CID 269450
(2S)-2-(Nonafluorobutyl)octan-1-ol
CID 121008108
(4-Fluorocyclohexyl)methanol
CID 44228134

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-difluorocyclohexyl)propan-1-ol?
The IUPAC name of 3-(4,4-difluorocyclohexyl)propan-1-ol (CID 122552790) is 3-(4,4-difluorocyclohexyl)propan-1-ol.
What is the SMILES notation for 3-(4,4-difluorocyclohexyl)propan-1-ol?
The canonical SMILES for 3-(4,4-difluorocyclohexyl)propan-1-ol is OCCCC1CCC(F)(F)CC1.
What is the InChIKey of 3-(4,4-difluorocyclohexyl)propan-1-ol?
The InChIKey is SWXYDJCBHIPAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O/c10-9(11)5-3-8(4-6-9)2-1-7-12/h8,12H,1-7H2.
What are the key properties of 3-(4,4-difluorocyclohexyl)propan-1-ol?
3-(4,4-difluorocyclohexyl)propan-1-ol has a molecular weight of 178.22 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluorocyclohexyl)propan-1-ol is sourced from PubChem (CID 122552790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).