2,6-difluoro-4-methylidenecyclohexan-1-ol

C7H10F2O — CID 91076601

IUPAC2,6-difluoro-4-methylidenecyclohexan-1-ol
SMILESC=C1CC(F)C(O)C(F)C1
InChIInChI=1S/C7H10F2O/c1-4-2-5(8)7(10)6(9)3-4/h5-7,10H,1-3H2
InChIKeyWOGAHJHUDFKJLD-UHFFFAOYSA-N
MW148.15 g/mol
LogP1.37
Rot. Bonds

About 2,6-difluoro-4-methylidenecyclohexan-1-ol

2,6-difluoro-4-methylidenecyclohexan-1-ol (PubChem CID 91076601) has the molecular formula C7H10F2O and a molecular weight of 148.15 g/mol. Its IUPAC name is 2,6-difluoro-4-methylidenecyclohexan-1-ol.

Molecular Properties

Compound Name2,6-difluoro-4-methylidenecyclohexan-1-ol
PubChem CID91076601
Molecular FormulaC7H10F2O
Molecular Weight148.15 g/mol
Exact Mass148.07
IUPAC Name2,6-difluoro-4-methylidenecyclohexan-1-ol
SMILESC=C1CC(F)C(O)C(F)C1
InChIInChI=1S/C7H10F2O/c1-4-2-5(8)7(10)6(9)3-4/h5-7,10H,1-3H2
InChIKeyWOGAHJHUDFKJLD-UHFFFAOYSA-N
XLogP1.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.15
LogP ≤ 51.37
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 2,6-difluoro-4-methylidenecyclohexan-1-ol?
The IUPAC name of 2,6-difluoro-4-methylidenecyclohexan-1-ol (CID 91076601) is 2,6-difluoro-4-methylidenecyclohexan-1-ol.
What is the SMILES notation for 2,6-difluoro-4-methylidenecyclohexan-1-ol?
The canonical SMILES for 2,6-difluoro-4-methylidenecyclohexan-1-ol is C=C1CC(F)C(O)C(F)C1.
What is the InChIKey of 2,6-difluoro-4-methylidenecyclohexan-1-ol?
The InChIKey is WOGAHJHUDFKJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O/c1-4-2-5(8)7(10)6(9)3-4/h5-7,10H,1-3H2.
What are the key properties of 2,6-difluoro-4-methylidenecyclohexan-1-ol?
2,6-difluoro-4-methylidenecyclohexan-1-ol has a molecular weight of 148.15 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-methylidenecyclohexan-1-ol is sourced from PubChem (CID 91076601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).