3,5-difluorocyclohex-2-en-1-ol

C6H8F2O — CID 167229197

IUPAC3,5-difluorocyclohex-2-en-1-ol
SMILESOC1C=C(F)CC(F)C1
InChIInChI=1S/C6H8F2O/c7-4-1-5(8)3-6(9)2-4/h2,5-6,9H,1,3H2
InChIKeyGZBMHEGIBJZIGY-UHFFFAOYSA-N
MW134.12 g/mol
LogP1.33
Rot. Bonds

About 3,5-difluorocyclohex-2-en-1-ol

3,5-difluorocyclohex-2-en-1-ol (PubChem CID 167229197) has the molecular formula C6H8F2O and a molecular weight of 134.12 g/mol. Its IUPAC name is 3,5-difluorocyclohex-2-en-1-ol.

Molecular Properties

Compound Name3,5-difluorocyclohex-2-en-1-ol
PubChem CID167229197
Molecular FormulaC6H8F2O
Molecular Weight134.12 g/mol
Exact Mass134.05
IUPAC Name3,5-difluorocyclohex-2-en-1-ol
SMILESOC1C=C(F)CC(F)C1
InChIInChI=1S/C6H8F2O/c7-4-1-5(8)3-6(9)2-4/h2,5-6,9H,1,3H2
InChIKeyGZBMHEGIBJZIGY-UHFFFAOYSA-N
XLogP1.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.12
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluorocyclohex-2-en-1-ol?
The IUPAC name of 3,5-difluorocyclohex-2-en-1-ol (CID 167229197) is 3,5-difluorocyclohex-2-en-1-ol.
What is the SMILES notation for 3,5-difluorocyclohex-2-en-1-ol?
The canonical SMILES for 3,5-difluorocyclohex-2-en-1-ol is OC1C=C(F)CC(F)C1.
What is the InChIKey of 3,5-difluorocyclohex-2-en-1-ol?
The InChIKey is GZBMHEGIBJZIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O/c7-4-1-5(8)3-6(9)2-4/h2,5-6,9H,1,3H2.
What are the key properties of 3,5-difluorocyclohex-2-en-1-ol?
3,5-difluorocyclohex-2-en-1-ol has a molecular weight of 134.12 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluorocyclohex-2-en-1-ol is sourced from PubChem (CID 167229197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).