(E)-12,12,12-trifluorododec-9-en-1-ol

C12H21F3O — CID 122391659

IUPAC(E)-12,12,12-trifluorododec-9-en-1-ol
SMILESOCCCCCCCC/C=C/CC(F)(F)F
InChIInChI=1S/C12H21F3O/c13-12(14,15)10-8-6-4-2-1-3-5-7-9-11-16/h6,8,16H,1-5,7,9-11H2/b8-6+
InChIKeySNDVPBKXPNPODD-SOFGYWHQSA-N
MW238.29 g/mol
LogP4.22
Rot. Bonds9

About (E)-12,12,12-trifluorododec-9-en-1-ol

(E)-12,12,12-trifluorododec-9-en-1-ol (PubChem CID 122391659) has the molecular formula C12H21F3O and a molecular weight of 238.29 g/mol. Its IUPAC name is (E)-12,12,12-trifluorododec-9-en-1-ol.

Molecular Properties

Compound Name(E)-12,12,12-trifluorododec-9-en-1-ol
PubChem CID122391659
Molecular FormulaC12H21F3O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name(E)-12,12,12-trifluorododec-9-en-1-ol
SMILESOCCCCCCCC/C=C/CC(F)(F)F
InChIInChI=1S/C12H21F3O/c13-12(14,15)10-8-6-4-2-1-3-5-7-9-11-16/h6,8,16H,1-5,7,9-11H2/b8-6+
InChIKeySNDVPBKXPNPODD-SOFGYWHQSA-N
XLogP4.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Myristoleyl alcohol
CID 5364712
8-Dodecen-1-ol, (8Z)-
CID 5283295
Cis-11-tetradecenol
CID 1712010
(Z)-dodec-7-enol
CID 5362794
11-Tetradecen-1-ol, (11E)-
CID 1712011
9-Dodecen-1-ol, (9E)-
CID 5283277
(9E)-9-Tetradecen-1-ol
CID 5352284
9-Dodecen-1-ol, (9Z)-
CID 6431342
cis-7-Tetradecenol
CID 5362795
9-Dodecen-1-ol
CID 93181
9,12-Tetradecadien-1-ol, (9E,12Z)-
CID 6436736
(Z)-8-Tetradecen-1-ol
CID 6431341

Frequently Asked Questions

What is the IUPAC name of (E)-12,12,12-trifluorododec-9-en-1-ol?
The IUPAC name of (E)-12,12,12-trifluorododec-9-en-1-ol (CID 122391659) is (E)-12,12,12-trifluorododec-9-en-1-ol.
What is the SMILES notation for (E)-12,12,12-trifluorododec-9-en-1-ol?
The canonical SMILES for (E)-12,12,12-trifluorododec-9-en-1-ol is OCCCCCCCC/C=C/CC(F)(F)F.
What is the InChIKey of (E)-12,12,12-trifluorododec-9-en-1-ol?
The InChIKey is SNDVPBKXPNPODD-SOFGYWHQSA-N. The full InChI is InChI=1S/C12H21F3O/c13-12(14,15)10-8-6-4-2-1-3-5-7-9-11-16/h6,8,16H,1-5,7,9-11H2/b8-6+.
What are the key properties of (E)-12,12,12-trifluorododec-9-en-1-ol?
(E)-12,12,12-trifluorododec-9-en-1-ol has a molecular weight of 238.29 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-12,12,12-trifluorododec-9-en-1-ol is sourced from PubChem (CID 122391659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).