(3R,4S,6S)-3-fluoro-6,10-dimethyl-3-(trifluoromethyl)undeca-1,9-dien-4-ol

C14H22F4O — CID 165415816

IUPAC(3R,4S,6S)-3-fluoro-6,10-dimethyl-3-(trifluoromethyl)undeca-1,9-dien-4-ol
SMILESC=C[C@@](F)([C@@H](O)C[C@@H](C)CCC=C(C)C)C(F)(F)F
InChIInChI=1S/C14H22F4O/c1-5-13(15,14(16,17)18)12(19)9-11(4)8-6-7-10(2)3/h5,7,11-12,19H,1,6,8-9H2,2-4H3/t11-,12-,13+/m0/s1
InChIKeyPPWKGACJOWKNIM-RWMBFGLXSA-N
MW282.32 g/mol
LogP4.58
Rot. Bonds7

About (3R,4S,6S)-3-fluoro-6,10-dimethyl-3-(trifluoromethyl)undeca-1,9-dien-4-ol

(3R,4S,6S)-3-fluoro-6,10-dimethyl-3-(trifluoromethyl)undeca-1,9-dien-4-ol (PubChem CID 165415816) has the molecular formula C14H22F4O and a molecular weight of 282.32 g/mol. Its IUPAC name is (3R,4S,6S)-3-fluoro-6,10-dimethyl-3-(trifluoromethyl)undeca-1,9-dien-4-ol.

Molecular Properties

Compound Name(3R,4S,6S)-3-fluoro-6,10-dimethyl-3-(trifluoromethyl)undeca-1,9-dien-4-ol
PubChem CID165415816
Molecular FormulaC14H22F4O
Molecular Weight282.32 g/mol
Exact Mass282.16
IUPAC Name(3R,4S,6S)-3-fluoro-6,10-dimethyl-3-(trifluoromethyl)undeca-1,9-dien-4-ol
SMILESC=C[C@@](F)([C@@H](O)C[C@@H](C)CCC=C(C)C)C(F)(F)F
InChIInChI=1S/C14H22F4O/c1-5-13(15,14(16,17)18)12(19)9-11(4)8-6-7-10(2)3/h5,7,11-12,19H,1,6,8-9H2,2-4H3/t11-,12-,13+/m0/s1
InChIKeyPPWKGACJOWKNIM-RWMBFGLXSA-N
XLogP4.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 54.58
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 (3R,4S,6S)-3-fluoro-6,10-dimethyl-3-(trifluoromethyl)undeca-1,9-dien-4-ol?
The IUPAC name of (3R,4S,6S)-3-fluoro-6,10-dimethyl-3-(trifluoromethyl)undeca-1,9-dien-4-ol (CID 165415816) is (3R,4S,6S)-3-fluoro-6,10-dimethyl-3-(trifluoromethyl)undeca-1,9-dien-4-ol.
What is the SMILES notation for (3R,4S,6S)-3-fluoro-6,10-dimethyl-3-(trifluoromethyl)undeca-1,9-dien-4-ol?
The canonical SMILES for (3R,4S,6S)-3-fluoro-6,10-dimethyl-3-(trifluoromethyl)undeca-1,9-dien-4-ol is C=C[C@@](F)([C@@H](O)C[C@@H](C)CCC=C(C)C)C(F)(F)F.
What is the InChIKey of (3R,4S,6S)-3-fluoro-6,10-dimethyl-3-(trifluoromethyl)undeca-1,9-dien-4-ol?
The InChIKey is PPWKGACJOWKNIM-RWMBFGLXSA-N. The full InChI is InChI=1S/C14H22F4O/c1-5-13(15,14(16,17)18)12(19)9-11(4)8-6-7-10(2)3/h5,7,11-12,19H,1,6,8-9H2,2-4H3/t11-,12-,13+/m0/s1.
What are the key properties of (3R,4S,6S)-3-fluoro-6,10-dimethyl-3-(trifluoromethyl)undeca-1,9-dien-4-ol?
(3R,4S,6S)-3-fluoro-6,10-dimethyl-3-(trifluoromethyl)undeca-1,9-dien-4-ol has a molecular weight of 282.32 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,6S)-3-fluoro-6,10-dimethyl-3-(trifluoromethyl)undeca-1,9-dien-4-ol is sourced from PubChem (CID 165415816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).