3,3,3-trifluoro-2-methyl-1-phenylpropan-1-ol

C10H11F3O — CID 13217279

IUPAC3,3,3-trifluoro-2-methyl-1-phenylpropan-1-ol
SMILESCC(C(O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H11F3O/c1-7(10(11,12)13)9(14)8-5-3-2-4-6-8/h2-7,9,14H,1H3
InChIKeyZCXGTOCZTPHWRN-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.92
Rot. Bonds2

About 3,3,3-trifluoro-2-methyl-1-phenylpropan-1-ol

3,3,3-trifluoro-2-methyl-1-phenylpropan-1-ol (PubChem CID 13217279) has the molecular formula C10H11F3O and a molecular weight of 204.19 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-1-phenylpropan-1-ol
PubChem CID13217279
Molecular FormulaC10H11F3O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name3,3,3-trifluoro-2-methyl-1-phenylpropan-1-ol
SMILESCC(C(O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H11F3O/c1-7(10(11,12)13)9(14)8-5-3-2-4-6-8/h2-7,9,14H,1H3
InChIKeyZCXGTOCZTPHWRN-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzyl Alcohol
CID 244
2-Phenyl-2-propanol
CID 12053
1-Phenylethanol
CID 7409
Cuminol
CID 325
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
4-Methylbenzyl alcohol
CID 11505
Benzhydrol
CID 7037
1-Phenyl-1,2-ethanediol
CID 7149
alpha-(2-Methylpropyl)benzeneethanol
CID 62661
p,alpha-DIMETHYLBENZYL ALCOHOL
CID 10817
2-Phenyl-1-propanol
CID 14295

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-1-phenylpropan-1-ol?
The IUPAC name of 3,3,3-trifluoro-2-methyl-1-phenylpropan-1-ol (CID 13217279) is 3,3,3-trifluoro-2-methyl-1-phenylpropan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-1-phenylpropan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-1-phenylpropan-1-ol is CC(C(O)c1ccccc1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-1-phenylpropan-1-ol?
The InChIKey is ZCXGTOCZTPHWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O/c1-7(10(11,12)13)9(14)8-5-3-2-4-6-8/h2-7,9,14H,1H3.
What are the key properties of 3,3,3-trifluoro-2-methyl-1-phenylpropan-1-ol?
3,3,3-trifluoro-2-methyl-1-phenylpropan-1-ol has a molecular weight of 204.19 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-1-phenylpropan-1-ol is sourced from PubChem (CID 13217279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).