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

C8H14F2O — CID 10535015

IUPAC(2S)-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-/m0/s1
InChIKeyUFQQOBWGPQETLL-ZETCQYMHSA-N
MW164.19 g/mol
LogP2.36
Rot. Bonds4

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

(2S)-1,1-difluoro-6-methylhept-5-en-2-ol (PubChem CID 10535015) has the molecular formula C8H14F2O and a molecular weight of 164.19 g/mol. Its IUPAC name is (2S)-1,1-difluoro-6-methylhept-5-en-2-ol.

Molecular Properties

Compound Name(2S)-1,1-difluoro-6-methylhept-5-en-2-ol
PubChem CID10535015
Molecular FormulaC8H14F2O
Molecular Weight164.19 g/mol
Exact Mass164.10
IUPAC Name(2S)-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-/m0/s1
InChIKeyUFQQOBWGPQETLL-ZETCQYMHSA-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'}

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Related Compounds

6-Methyl-5-hepten-2-ol
CID 20745
2,6-Dimethyl-2,6-undecadien-10-ol
CID 5370125
7-methyl-6E-nonen-3-ol
CID 5283283
(+)-6-Methyl-5-hepten-2-ol
CID 6971127
sulcatol, (R)-
CID 6971128
5,9-Undecadien-2-ol, 6,10-dimethyl-
CID 103851
(r)-(e)-6,10-Dimethyl-5,9-undecadien-2-ol
CID 1592137
(E)-4-methylhex-4-en-2-ol
CID 13719466
(E)-4-methylhept-4-en-2-ol
CID 5358364
4,4,5-Trifluoro-6-methylhepta-1,5-dien-3-ol
CID 12082274
(2S,5E)-6,10-Dimethyl-5,9-undecadien-2-ol
CID 1592135
(2S)-6,10-dimethylundeca-5,9-dien-2-ol
CID 91322498

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1-difluoro-6-methylhept-5-en-2-ol?
The IUPAC name of (2S)-1,1-difluoro-6-methylhept-5-en-2-ol (CID 10535015) is (2S)-1,1-difluoro-6-methylhept-5-en-2-ol.
What is the SMILES notation for (2S)-1,1-difluoro-6-methylhept-5-en-2-ol?
The canonical SMILES for (2S)-1,1-difluoro-6-methylhept-5-en-2-ol is CC(C)=CCC[C@H](O)C(F)F.
What is the InChIKey of (2S)-1,1-difluoro-6-methylhept-5-en-2-ol?
The InChIKey is UFQQOBWGPQETLL-ZETCQYMHSA-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-/m0/s1.
What are the key properties of (2S)-1,1-difluoro-6-methylhept-5-en-2-ol?
(2S)-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 (2S)-1,1-difluoro-6-methylhept-5-en-2-ol is sourced from PubChem (CID 10535015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).