1,1-difluorohex-1-en-3-ol

C6H10F2O — CID 12651428

IUPAC1,1-difluorohex-1-en-3-ol
SMILESCCCC(O)C=C(F)F
InChIInChI=1S/C6H10F2O/c1-2-3-5(9)4-6(7)8/h4-5,9H,2-3H2,1H3
InChIKeyCAAIIACGMIKEBO-UHFFFAOYSA-N
MW136.14 g/mol
LogP1.93
Rot. Bonds3

About 1,1-difluorohex-1-en-3-ol

1,1-difluorohex-1-en-3-ol (PubChem CID 12651428) has the molecular formula C6H10F2O and a molecular weight of 136.14 g/mol. Its IUPAC name is 1,1-difluorohex-1-en-3-ol.

Molecular Properties

Compound Name1,1-difluorohex-1-en-3-ol
PubChem CID12651428
Molecular FormulaC6H10F2O
Molecular Weight136.14 g/mol
Exact Mass136.07
IUPAC Name1,1-difluorohex-1-en-3-ol
SMILESCCCC(O)C=C(F)F
InChIInChI=1S/C6H10F2O/c1-2-3-5(9)4-6(7)8/h4-5,9H,2-3H2,1H3
InChIKeyCAAIIACGMIKEBO-UHFFFAOYSA-N
XLogP1.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.14
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluorohex-1-en-3-ol?
The IUPAC name of 1,1-difluorohex-1-en-3-ol (CID 12651428) is 1,1-difluorohex-1-en-3-ol.
What is the SMILES notation for 1,1-difluorohex-1-en-3-ol?
The canonical SMILES for 1,1-difluorohex-1-en-3-ol is CCCC(O)C=C(F)F.
What is the InChIKey of 1,1-difluorohex-1-en-3-ol?
The InChIKey is CAAIIACGMIKEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O/c1-2-3-5(9)4-6(7)8/h4-5,9H,2-3H2,1H3.
What are the key properties of 1,1-difluorohex-1-en-3-ol?
1,1-difluorohex-1-en-3-ol has a molecular weight of 136.14 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluorohex-1-en-3-ol is sourced from PubChem (CID 12651428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).