(1R)-1-(3,3-difluorocyclohexyl)prop-2-yn-1-ol

C9H12F2O — CID 130563414

IUPAC(1R)-1-(3,3-difluorocyclohexyl)prop-2-yn-1-ol
SMILESC#C[C@H](O)C1CCCC(F)(F)C1
InChIInChI=1S/C9H12F2O/c1-2-8(12)7-4-3-5-9(10,11)6-7/h1,7-8,12H,3-6H2/t7?,8-/m0/s1
InChIKeyHZXUGEOYIFGEHC-MQWKRIRWSA-N
MW174.19 g/mol
LogP1.81
Rot. Bonds1

About (1R)-1-(3,3-difluorocyclohexyl)prop-2-yn-1-ol

(1R)-1-(3,3-difluorocyclohexyl)prop-2-yn-1-ol (PubChem CID 130563414) has the molecular formula C9H12F2O and a molecular weight of 174.19 g/mol. Its IUPAC name is (1R)-1-(3,3-difluorocyclohexyl)prop-2-yn-1-ol.

Molecular Properties

Compound Name(1R)-1-(3,3-difluorocyclohexyl)prop-2-yn-1-ol
PubChem CID130563414
Molecular FormulaC9H12F2O
Molecular Weight174.19 g/mol
Exact Mass174.09
IUPAC Name(1R)-1-(3,3-difluorocyclohexyl)prop-2-yn-1-ol
SMILESC#C[C@H](O)C1CCCC(F)(F)C1
InChIInChI=1S/C9H12F2O/c1-2-8(12)7-4-3-5-9(10,11)6-7/h1,7-8,12H,3-6H2/t7?,8-/m0/s1
InChIKeyHZXUGEOYIFGEHC-MQWKRIRWSA-N
XLogP1.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (1R)-1-(3,3-difluorocyclohexyl)prop-2-yn-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclooctylprop-2-yn-1-ol
CID 22150534
2-cyclohexyl-1-(3,3-difluorocyclohexyl)ethanol
CID 114215735
(2S)-2-amino-2-(3,3-difluorocyclohexyl)ethanol
CID 160689350
1-(3,3-difluorocyclohexyl)-3,5-dimethylhexan-1-ol
CID 114215688
1-(3,3-difluorocyclohexyl)-2-(oxan-4-yl)ethanol
CID 114215722
(3,3-difluorocyclohexyl)-(4-ethylphenyl)methanol
CID 114215750
2-(aminomethyl)-1-(3,3-difluorocyclohexyl)-4-methylpentan-1-ol
CID 114226754
[cyclopropyl-(3,3-difluorocyclohexyl)methyl]hydrazine
CID 130485115
1-cyclohexyl-3-(3,3-difluorocyclohexyl)-1-hydroxypropan-2-one
CID 114224662
cyclopentyl-(3,3-difluorocyclopentyl)methanamine
CID 130484946
(1S)-3,3-difluoro-N-methylcyclohexan-1-amine
CID 177192029
1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)prop-2-yn-1-ol
CID 23550172

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,3-difluorocyclohexyl)prop-2-yn-1-ol?
The IUPAC name of (1R)-1-(3,3-difluorocyclohexyl)prop-2-yn-1-ol (CID 130563414) is (1R)-1-(3,3-difluorocyclohexyl)prop-2-yn-1-ol.
What is the SMILES notation for (1R)-1-(3,3-difluorocyclohexyl)prop-2-yn-1-ol?
The canonical SMILES for (1R)-1-(3,3-difluorocyclohexyl)prop-2-yn-1-ol is C#C[C@H](O)C1CCCC(F)(F)C1.
What is the InChIKey of (1R)-1-(3,3-difluorocyclohexyl)prop-2-yn-1-ol?
The InChIKey is HZXUGEOYIFGEHC-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H12F2O/c1-2-8(12)7-4-3-5-9(10,11)6-7/h1,7-8,12H,3-6H2/t7?,8-/m0/s1.
What are the key properties of (1R)-1-(3,3-difluorocyclohexyl)prop-2-yn-1-ol?
(1R)-1-(3,3-difluorocyclohexyl)prop-2-yn-1-ol has a molecular weight of 174.19 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,3-difluorocyclohexyl)prop-2-yn-1-ol is sourced from PubChem (CID 130563414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).