3,3-difluoro-6-methylocta-1,7-dien-4-ol

C9H14F2O — CID 142292357

IUPAC3,3-difluoro-6-methylocta-1,7-dien-4-ol
SMILESC=CC(C)CC(O)C(F)(F)C=C
InChIInChI=1S/C9H14F2O/c1-4-7(3)6-8(12)9(10,11)5-2/h4-5,7-8,12H,1-2,6H2,3H3
InChIKeyLMOJAGSEHBHMQB-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.38
Rot. Bonds5

About 3,3-difluoro-6-methylocta-1,7-dien-4-ol

3,3-difluoro-6-methylocta-1,7-dien-4-ol (PubChem CID 142292357) has the molecular formula C9H14F2O and a molecular weight of 176.21 g/mol. Its IUPAC name is 3,3-difluoro-6-methylocta-1,7-dien-4-ol.

Molecular Properties

Compound Name3,3-difluoro-6-methylocta-1,7-dien-4-ol
PubChem CID142292357
Molecular FormulaC9H14F2O
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name3,3-difluoro-6-methylocta-1,7-dien-4-ol
SMILESC=CC(C)CC(O)C(F)(F)C=C
InChIInChI=1S/C9H14F2O/c1-4-7(3)6-8(12)9(10,11)5-2/h4-5,7-8,12H,1-2,6H2,3H3
InChIKeyLMOJAGSEHBHMQB-UHFFFAOYSA-N
XLogP2.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.38
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

5-Methyl-1-hepten-4-ol
CID 145341
(3R,4S,5R)-3,5-dimethylhept-1-en-4-ol
CID 12703995
(4R,5S)-5-methylhept-1-en-4-ol
CID 14396925
2-Methyl-6-hepten-3-ol
CID 144868
4,4,5,5-Tetrafluoro-2,2-dimethylhept-6-en-3-ol
CID 101778191
(3S)-4,4-difluoro-2,2-dimethylhex-5-en-3-ol
CID 177849829
(4s,2e)-5-Methylhepten-4-ol
CID 14396924
6-Methylhept-1-en-4-ol
CID 11344031
5-Ethylhept-1-en-4-ol
CID 12508208
(4S)-6-methylhept-1-en-4-ol
CID 12642480
(3S,4S,5S)-3,5-dimethylhept-1-en-4-ol
CID 12703991
(3S,4R,5R)-3,5-dimethylhept-1-en-4-ol
CID 12703996

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-6-methylocta-1,7-dien-4-ol?
The IUPAC name of 3,3-difluoro-6-methylocta-1,7-dien-4-ol (CID 142292357) is 3,3-difluoro-6-methylocta-1,7-dien-4-ol.
What is the SMILES notation for 3,3-difluoro-6-methylocta-1,7-dien-4-ol?
The canonical SMILES for 3,3-difluoro-6-methylocta-1,7-dien-4-ol is C=CC(C)CC(O)C(F)(F)C=C.
What is the InChIKey of 3,3-difluoro-6-methylocta-1,7-dien-4-ol?
The InChIKey is LMOJAGSEHBHMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O/c1-4-7(3)6-8(12)9(10,11)5-2/h4-5,7-8,12H,1-2,6H2,3H3.
What are the key properties of 3,3-difluoro-6-methylocta-1,7-dien-4-ol?
3,3-difluoro-6-methylocta-1,7-dien-4-ol has a molecular weight of 176.21 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-6-methylocta-1,7-dien-4-ol is sourced from PubChem (CID 142292357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).