2-benzyl-4,4,4-trifluorobutan-1-ol

C11H13F3O — CID 121208196

IUPAC2-benzyl-4,4,4-trifluorobutan-1-ol
SMILESOCC(Cc1ccccc1)CC(F)(F)F
InChIInChI=1S/C11H13F3O/c12-11(13,14)7-10(8-15)6-9-4-2-1-3-5-9/h1-5,10,15H,6-8H2
InChIKeySCPNCZLOOYOFQD-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.79
Rot. Bonds4

About 2-benzyl-4,4,4-trifluorobutan-1-ol

2-benzyl-4,4,4-trifluorobutan-1-ol (PubChem CID 121208196) has the molecular formula C11H13F3O and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-benzyl-4,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name2-benzyl-4,4,4-trifluorobutan-1-ol
PubChem CID121208196
Molecular FormulaC11H13F3O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name2-benzyl-4,4,4-trifluorobutan-1-ol
SMILESOCC(Cc1ccccc1)CC(F)(F)F
InChIInChI=1S/C11H13F3O/c12-11(13,14)7-10(8-15)6-9-4-2-1-3-5-9/h1-5,10,15H,6-8H2
InChIKeySCPNCZLOOYOFQD-UHFFFAOYSA-N
XLogP2.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-benzyl-4,4,4-trifluorobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-4,4,4-trifluoro-2-methylbutyl]benzene
CID 173350029
(3R)-3-benzyl-4-hydroxybutanenitrile
CID 11126787
2-[(4-bromophenyl)methyl]-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-ol
CID 89289925
4-benzyl-2-ethylhexane-1,6-diol
CID 141380082
2-benzyloctadecan-1-ol
CID 67814123
1,1,1-trifluoro-5-phenylpentan-3-ol
CID 61392717
3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 95040090
2-benzyl-3-cyclohexylpropan-1-ol
CID 66060213
phenyl-(4,4,4-trifluoro-1-phenylbutan-2-yl)diazene
CID 132545724
2-benzyl-3-(cyclopropylamino)propan-1-ol
CID 117241557
bis(2,3-dimethylbutane);bis(2-methylpropane);bis(2-methylpropan-1-ol);bis(2-methylpropylbenzene)
CID 162250352
3-phenyl-2-phenylsulfanylpropan-1-ol
CID 14744646

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4,4,4-trifluorobutan-1-ol?
The IUPAC name of 2-benzyl-4,4,4-trifluorobutan-1-ol (CID 121208196) is 2-benzyl-4,4,4-trifluorobutan-1-ol.
What is the SMILES notation for 2-benzyl-4,4,4-trifluorobutan-1-ol?
The canonical SMILES for 2-benzyl-4,4,4-trifluorobutan-1-ol is OCC(Cc1ccccc1)CC(F)(F)F.
What is the InChIKey of 2-benzyl-4,4,4-trifluorobutan-1-ol?
The InChIKey is SCPNCZLOOYOFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O/c12-11(13,14)7-10(8-15)6-9-4-2-1-3-5-9/h1-5,10,15H,6-8H2.
What are the key properties of 2-benzyl-4,4,4-trifluorobutan-1-ol?
2-benzyl-4,4,4-trifluorobutan-1-ol has a molecular weight of 218.22 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 121208196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).