2,2-difluoro-5-methylhex-5-en-3-ol

C7H12F2O — CID 130943782

IUPAC2,2-difluoro-5-methylhex-5-en-3-ol
SMILESC=C(C)CC(O)C(C)(F)F
InChIInChI=1S/C7H12F2O/c1-5(2)4-6(10)7(3,8)9/h6,10H,1,4H2,2-3H3
InChIKeyAKRPXIVUTCUSMN-UHFFFAOYSA-N
MW150.17 g/mol
LogP1.97
Rot. Bonds3

About 2,2-difluoro-5-methylhex-5-en-3-ol

2,2-difluoro-5-methylhex-5-en-3-ol (PubChem CID 130943782) has the molecular formula C7H12F2O and a molecular weight of 150.17 g/mol. Its IUPAC name is 2,2-difluoro-5-methylhex-5-en-3-ol.

Molecular Properties

Compound Name2,2-difluoro-5-methylhex-5-en-3-ol
PubChem CID130943782
Molecular FormulaC7H12F2O
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name2,2-difluoro-5-methylhex-5-en-3-ol
SMILESC=C(C)CC(O)C(C)(F)F
InChIInChI=1S/C7H12F2O/c1-5(2)4-6(10)7(3,8)9/h6,10H,1,4H2,2-3H3
InChIKeyAKRPXIVUTCUSMN-UHFFFAOYSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 51.97
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 2,2-difluoro-5-methylhex-5-en-3-ol?
The IUPAC name of 2,2-difluoro-5-methylhex-5-en-3-ol (CID 130943782) is 2,2-difluoro-5-methylhex-5-en-3-ol.
What is the SMILES notation for 2,2-difluoro-5-methylhex-5-en-3-ol?
The canonical SMILES for 2,2-difluoro-5-methylhex-5-en-3-ol is C=C(C)CC(O)C(C)(F)F.
What is the InChIKey of 2,2-difluoro-5-methylhex-5-en-3-ol?
The InChIKey is AKRPXIVUTCUSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O/c1-5(2)4-6(10)7(3,8)9/h6,10H,1,4H2,2-3H3.
What are the key properties of 2,2-difluoro-5-methylhex-5-en-3-ol?
2,2-difluoro-5-methylhex-5-en-3-ol has a molecular weight of 150.17 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-methylhex-5-en-3-ol is sourced from PubChem (CID 130943782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).