1-ethynyl-4,4-difluorocyclohexan-1-ol

C8H10F2O — CID 125480698

IUPAC1-ethynyl-4,4-difluorocyclohexan-1-ol
SMILESC#CC1(O)CCC(F)(F)CC1
InChIInChI=1S/C8H10F2O/c1-2-7(11)3-5-8(9,10)6-4-7/h1,11H,3-6H2
InChIKeyVIYXTSQEIPRJEZ-UHFFFAOYSA-N
MW160.16 g/mol
LogP1.56
Rot. Bonds

About 1-ethynyl-4,4-difluorocyclohexan-1-ol

1-ethynyl-4,4-difluorocyclohexan-1-ol (PubChem CID 125480698) has the molecular formula C8H10F2O and a molecular weight of 160.16 g/mol. Its IUPAC name is 1-ethynyl-4,4-difluorocyclohexan-1-ol.

Molecular Properties

Compound Name1-ethynyl-4,4-difluorocyclohexan-1-ol
PubChem CID125480698
Molecular FormulaC8H10F2O
Molecular Weight160.16 g/mol
Exact Mass160.07
IUPAC Name1-ethynyl-4,4-difluorocyclohexan-1-ol
SMILESC#CC1(O)CCC(F)(F)CC1
InChIInChI=1S/C8H10F2O/c1-2-7(11)3-5-8(9,10)6-4-7/h1,11H,3-6H2
InChIKeyVIYXTSQEIPRJEZ-UHFFFAOYSA-N
XLogP1.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.16
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethynyl-4,4-dimethylcyclohexan-1-ol
CID 20569400
1-ethynylcyclohexan-1-ol;platinum(2+)
CID 23175181
4-ethynylpiperidin-4-ol
CID 19895580
1-ethynylcyclohexane-1,4-diol
CID 45079337
cobalt;1,1-difluorocyclopropane
CID 143921033
6,6-difluorospiro[2.5]octane
CID 58561650
4-ethynyl-1-propylpiperidin-4-ol
CID 64915760
4-ethynyl-1-(3-piperidin-1-ylpropyl)piperidin-4-ol
CID 126822571
(1R)-1-(3,3-difluorocyclohexyl)prop-2-yn-1-ol
CID 130563414
2-ethynyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ol
CID 175858950
1-[bromo(difluoro)methyl]-4,4-difluorocyclohexan-1-ol
CID 164651145
4-ethynyl-2-methyloxan-4-ol
CID 45079336

Frequently Asked Questions

What is the IUPAC name of 1-ethynyl-4,4-difluorocyclohexan-1-ol?
The IUPAC name of 1-ethynyl-4,4-difluorocyclohexan-1-ol (CID 125480698) is 1-ethynyl-4,4-difluorocyclohexan-1-ol.
What is the SMILES notation for 1-ethynyl-4,4-difluorocyclohexan-1-ol?
The canonical SMILES for 1-ethynyl-4,4-difluorocyclohexan-1-ol is C#CC1(O)CCC(F)(F)CC1.
What is the InChIKey of 1-ethynyl-4,4-difluorocyclohexan-1-ol?
The InChIKey is VIYXTSQEIPRJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O/c1-2-7(11)3-5-8(9,10)6-4-7/h1,11H,3-6H2.
What are the key properties of 1-ethynyl-4,4-difluorocyclohexan-1-ol?
1-ethynyl-4,4-difluorocyclohexan-1-ol has a molecular weight of 160.16 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-4,4-difluorocyclohexan-1-ol is sourced from PubChem (CID 125480698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).