5-(trifluoromethyl)undec-7-en-5-ol

C12H21F3O — CID 71335180

IUPAC5-(trifluoromethyl)undec-7-en-5-ol
SMILESCCCC=CCC(O)(CCCC)C(F)(F)F
InChIInChI=1S/C12H21F3O/c1-3-5-7-8-10-11(16,9-6-4-2)12(13,14)15/h7-8,16H,3-6,9-10H2,1-2H3
InChIKeyGXNYUUJLLYOPEX-UHFFFAOYSA-N
MW238.29 g/mol
LogP4.22
Rot. Bonds7

About 5-(trifluoromethyl)undec-7-en-5-ol

5-(trifluoromethyl)undec-7-en-5-ol (PubChem CID 71335180) has the molecular formula C12H21F3O and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-(trifluoromethyl)undec-7-en-5-ol.

Molecular Properties

Compound Name5-(trifluoromethyl)undec-7-en-5-ol
PubChem CID71335180
Molecular FormulaC12H21F3O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name5-(trifluoromethyl)undec-7-en-5-ol
SMILESCCCC=CCC(O)(CCCC)C(F)(F)F
InChIInChI=1S/C12H21F3O/c1-3-5-7-8-10-11(16,9-6-4-2)12(13,14)15/h7-8,16H,3-6,9-10H2,1-2H3
InChIKeyGXNYUUJLLYOPEX-UHFFFAOYSA-N
XLogP4.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-1,1,1-trifluoro-2-(trifluoromethyl)non-4-en-2-ol
CID 147960581
4-(trifluoromethyl)octan-4-ol
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(E)-3-methyldec-6-en-3-ol
CID 20571537
azane;5,6-dibutylundecane-5,6-diol;hydrate
CID 175455322
2-hydroxy-7-[(1R,2R)-2-[4-hydroxy-4-(trifluoromethyl)oct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
CID 57209717
pentadeca-4,10-diene
CID 54306056
(4E,9Z)-tetradeca-4,9-diene
CID 152732976
(E)-1,1,1-trifluorodec-4-ene
CID 87295897
(4Z,8E)-dodeca-4,8-diene
CID 12576906
ethane;(E)-oct-4-ene
CID 142055407
(4E,8E)-dodeca-4,8-diene
CID 12576905
(Z)-tridec-4-ene
CID 5362712

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)undec-7-en-5-ol?
The IUPAC name of 5-(trifluoromethyl)undec-7-en-5-ol (CID 71335180) is 5-(trifluoromethyl)undec-7-en-5-ol.
What is the SMILES notation for 5-(trifluoromethyl)undec-7-en-5-ol?
The canonical SMILES for 5-(trifluoromethyl)undec-7-en-5-ol is CCCC=CCC(O)(CCCC)C(F)(F)F.
What is the InChIKey of 5-(trifluoromethyl)undec-7-en-5-ol?
The InChIKey is GXNYUUJLLYOPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3O/c1-3-5-7-8-10-11(16,9-6-4-2)12(13,14)15/h7-8,16H,3-6,9-10H2,1-2H3.
What are the key properties of 5-(trifluoromethyl)undec-7-en-5-ol?
5-(trifluoromethyl)undec-7-en-5-ol has a molecular weight of 238.29 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)undec-7-en-5-ol is sourced from PubChem (CID 71335180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).