1-fluoro-2,2-bis(fluoromethyl)hex-5-en-3-ol

C8H13F3O — CID 141050099

IUPAC1-fluoro-2,2-bis(fluoromethyl)hex-5-en-3-ol
SMILESC=CCC(O)C(CF)(CF)CF
InChIInChI=1S/C8H13F3O/c1-2-3-7(12)8(4-9,5-10)6-11/h2,7,12H,1,3-6H2
InChIKeyOCZZLINQNDZUQW-UHFFFAOYSA-N
MW182.18 g/mol
LogP1.82
Rot. Bonds6

About 1-fluoro-2,2-bis(fluoromethyl)hex-5-en-3-ol

1-fluoro-2,2-bis(fluoromethyl)hex-5-en-3-ol (PubChem CID 141050099) has the molecular formula C8H13F3O and a molecular weight of 182.18 g/mol. Its IUPAC name is 1-fluoro-2,2-bis(fluoromethyl)hex-5-en-3-ol.

Molecular Properties

Compound Name1-fluoro-2,2-bis(fluoromethyl)hex-5-en-3-ol
PubChem CID141050099
Molecular FormulaC8H13F3O
Molecular Weight182.18 g/mol
Exact Mass182.09
IUPAC Name1-fluoro-2,2-bis(fluoromethyl)hex-5-en-3-ol
SMILESC=CCC(O)C(CF)(CF)CF
InChIInChI=1S/C8H13F3O/c1-2-3-7(12)8(4-9,5-10)6-11/h2,7,12H,1,3-6H2
InChIKeyOCZZLINQNDZUQW-UHFFFAOYSA-N
XLogP1.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 51.82
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

2,2-Dimethyl-5-hexen-3-ol
CID 140556
(3S)-4,4-difluoro-2,2-dimethylhex-5-en-3-ol
CID 177849829
(3S)-2,2-dimethylhex-5-en-3-ol
CID 11018892
1-Fluoro-2,2-bis(fluoromethyl)-5-methylhex-5-en-3-ol
CID 21453510
(2R)-1,1,1-trifluoro-4,4-dimethylhex-5-en-2-ol
CID 155378097
(3S,4R)-2,2,4-trimethylhex-5-en-3-ol
CID 11182665
(3R,4R)-2,2,4-Trimethyl-5-hexen-3-ol
CID 12703981
(3S,4S)-2,2,4-trimethylhex-5-en-3-ol
CID 12703983
1,1,1-Trifluoro-3,3-dimethylhex-5-en-2-ol
CID 11401144
4,4-Difluoro-2,2-dimethyl-5-hexen-3-ol
CID 12591139
1,1,1-Trifluoro-2-(trifluoromethyl)hex-5-en-3-ol
CID 103312444
(3R,4R)-4-(trifluoromethyl)hex-5-en-3-ol
CID 122369591

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,2-bis(fluoromethyl)hex-5-en-3-ol?
The IUPAC name of 1-fluoro-2,2-bis(fluoromethyl)hex-5-en-3-ol (CID 141050099) is 1-fluoro-2,2-bis(fluoromethyl)hex-5-en-3-ol.
What is the SMILES notation for 1-fluoro-2,2-bis(fluoromethyl)hex-5-en-3-ol?
The canonical SMILES for 1-fluoro-2,2-bis(fluoromethyl)hex-5-en-3-ol is C=CCC(O)C(CF)(CF)CF.
What is the InChIKey of 1-fluoro-2,2-bis(fluoromethyl)hex-5-en-3-ol?
The InChIKey is OCZZLINQNDZUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O/c1-2-3-7(12)8(4-9,5-10)6-11/h2,7,12H,1,3-6H2.
What are the key properties of 1-fluoro-2,2-bis(fluoromethyl)hex-5-en-3-ol?
1-fluoro-2,2-bis(fluoromethyl)hex-5-en-3-ol has a molecular weight of 182.18 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,2-bis(fluoromethyl)hex-5-en-3-ol is sourced from PubChem (CID 141050099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).