(2R)-1,1-difluoro-6-methylhept-5-en-2-ol

C8H14F2O — CID 10535014

IUPAC(2R)-1,1-difluoro-6-methylhept-5-en-2-ol
SMILESCC(C)=CCC[C@@H](O)C(F)F
InChIInChI=1S/C8H14F2O/c1-6(2)4-3-5-7(11)8(9)10/h4,7-8,11H,3,5H2,1-2H3/t7-/m1/s1
InChIKeyUFQQOBWGPQETLL-SSDOTTSWSA-N
MW164.19 g/mol
LogP2.36
Rot. Bonds4

About (2R)-1,1-difluoro-6-methylhept-5-en-2-ol

(2R)-1,1-difluoro-6-methylhept-5-en-2-ol (PubChem CID 10535014) has the molecular formula C8H14F2O and a molecular weight of 164.19 g/mol. Its IUPAC name is (2R)-1,1-difluoro-6-methylhept-5-en-2-ol.

Molecular Properties

Compound Name(2R)-1,1-difluoro-6-methylhept-5-en-2-ol
PubChem CID10535014
Molecular FormulaC8H14F2O
Molecular Weight164.19 g/mol
Exact Mass164.10
IUPAC Name(2R)-1,1-difluoro-6-methylhept-5-en-2-ol
SMILESCC(C)=CCC[C@@H](O)C(F)F
InChIInChI=1S/C8H14F2O/c1-6(2)4-3-5-7(11)8(9)10/h4,7-8,11H,3,5H2,1-2H3/t7-/m1/s1
InChIKeyUFQQOBWGPQETLL-SSDOTTSWSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R)-1,1-difluoro-6-methylhept-5-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1-difluoro-6-methylhept-5-en-2-ol?
The IUPAC name of (2R)-1,1-difluoro-6-methylhept-5-en-2-ol (CID 10535014) is (2R)-1,1-difluoro-6-methylhept-5-en-2-ol.
What is the SMILES notation for (2R)-1,1-difluoro-6-methylhept-5-en-2-ol?
The canonical SMILES for (2R)-1,1-difluoro-6-methylhept-5-en-2-ol is CC(C)=CCC[C@@H](O)C(F)F.
What is the InChIKey of (2R)-1,1-difluoro-6-methylhept-5-en-2-ol?
The InChIKey is UFQQOBWGPQETLL-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14F2O/c1-6(2)4-3-5-7(11)8(9)10/h4,7-8,11H,3,5H2,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-1,1-difluoro-6-methylhept-5-en-2-ol?
(2R)-1,1-difluoro-6-methylhept-5-en-2-ol has a molecular weight of 164.19 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1-difluoro-6-methylhept-5-en-2-ol is sourced from PubChem (CID 10535014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).