4,4-difluoro-1-prop-2-enylcyclohexan-1-ol

C9H14F2O — CID 122552753

IUPAC4,4-difluoro-1-prop-2-enylcyclohexan-1-ol
SMILESC=CCC1(O)CCC(F)(F)CC1
InChIInChI=1S/C9H14F2O/c1-2-3-8(12)4-6-9(10,11)7-5-8/h2,12H,1,3-7H2
InChIKeyQQDICORVNWPEIL-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.50
Rot. Bonds2

About 4,4-difluoro-1-prop-2-enylcyclohexan-1-ol

4,4-difluoro-1-prop-2-enylcyclohexan-1-ol (PubChem CID 122552753) has the molecular formula C9H14F2O and a molecular weight of 176.21 g/mol. Its IUPAC name is 4,4-difluoro-1-prop-2-enylcyclohexan-1-ol.

Molecular Properties

Compound Name4,4-difluoro-1-prop-2-enylcyclohexan-1-ol
PubChem CID122552753
Molecular FormulaC9H14F2O
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name4,4-difluoro-1-prop-2-enylcyclohexan-1-ol
SMILESC=CCC1(O)CCC(F)(F)CC1
InChIInChI=1S/C9H14F2O/c1-2-3-8(12)4-6-9(10,11)7-5-8/h2,12H,1,3-7H2
InChIKeyQQDICORVNWPEIL-UHFFFAOYSA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-prop-2-enylcyclohexan-1-ol?
The IUPAC name of 4,4-difluoro-1-prop-2-enylcyclohexan-1-ol (CID 122552753) is 4,4-difluoro-1-prop-2-enylcyclohexan-1-ol.
What is the SMILES notation for 4,4-difluoro-1-prop-2-enylcyclohexan-1-ol?
The canonical SMILES for 4,4-difluoro-1-prop-2-enylcyclohexan-1-ol is C=CCC1(O)CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-prop-2-enylcyclohexan-1-ol?
The InChIKey is QQDICORVNWPEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O/c1-2-3-8(12)4-6-9(10,11)7-5-8/h2,12H,1,3-7H2.
What are the key properties of 4,4-difluoro-1-prop-2-enylcyclohexan-1-ol?
4,4-difluoro-1-prop-2-enylcyclohexan-1-ol has a molecular weight of 176.21 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-prop-2-enylcyclohexan-1-ol is sourced from PubChem (CID 122552753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).