3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-1-ol

C13H15F3O — CID 115817570

IUPAC3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-1-ol
SMILESC=C(CC)CC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15F3O/c1-3-9(2)8-12(17)10-4-6-11(7-5-10)13(14,15)16/h4-7,12,17H,2-3,8H2,1H3
InChIKeyHNTBJFMJIOTHSU-UHFFFAOYSA-N
MW244.26 g/mol
LogP4.10
Rot. Bonds4

About 3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-1-ol

3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-1-ol (PubChem CID 115817570) has the molecular formula C13H15F3O and a molecular weight of 244.26 g/mol. Its IUPAC name is 3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-1-ol.

Molecular Properties

Compound Name3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-1-ol
PubChem CID115817570
Molecular FormulaC13H15F3O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-1-ol
SMILESC=C(CC)CC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15F3O/c1-3-9(2)8-12(17)10-4-6-11(7-5-10)13(14,15)16/h4-7,12,17H,2-3,8H2,1H3
InChIKeyHNTBJFMJIOTHSU-UHFFFAOYSA-N
XLogP4.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 54.10
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

3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
CID 105005965
(1R)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 10192650
(4R)-4-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-one
CID 11593826
ethyl (3S)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoate
CID 94425179
(1S)-3-[dimethyl(phenyl)silyl]-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 10689220
1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol
CID 59729414
2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60903965
(1S,3R)-3-methyl-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-ol
CID 132560145
1-(3-fluoro-4-methoxyphenyl)-3-methylidenepentan-1-ol
CID 115817551
(1S)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol
CID 67342546
(3R)-3-hydroxy-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 101378731
ethane;1-[4-[4-(trifluoromethyl)phenyl]phenyl]heptan-1-ol
CID 143149816

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-1-ol?
The IUPAC name of 3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-1-ol (CID 115817570) is 3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-1-ol.
What is the SMILES notation for 3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-1-ol?
The canonical SMILES for 3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-1-ol is C=C(CC)CC(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-1-ol?
The InChIKey is HNTBJFMJIOTHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O/c1-3-9(2)8-12(17)10-4-6-11(7-5-10)13(14,15)16/h4-7,12,17H,2-3,8H2,1H3.
What are the key properties of 3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-1-ol?
3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-1-ol has a molecular weight of 244.26 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-1-ol is sourced from PubChem (CID 115817570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).