3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-2-(trifluoromethyl)propan-1-ol

C13H14F6O — CID 103310574

IUPAC3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-2-(trifluoromethyl)propan-1-ol
SMILESCC(C)c1ccc(C(O)C(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C13H14F6O/c1-7(2)8-3-5-9(6-4-8)10(20)11(12(14,15)16)13(17,18)19/h3-7,10-11,20H,1-2H3
InChIKeyAWKBWWQHPAEDID-UHFFFAOYSA-N
MW300.24 g/mol
LogP4.58
Rot. Bonds3

About 3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-2-(trifluoromethyl)propan-1-ol

3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-2-(trifluoromethyl)propan-1-ol (PubChem CID 103310574) has the molecular formula C13H14F6O and a molecular weight of 300.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-2-(trifluoromethyl)propan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-2-(trifluoromethyl)propan-1-ol
PubChem CID103310574
Molecular FormulaC13H14F6O
Molecular Weight300.24 g/mol
Exact Mass300.09
IUPAC Name3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-2-(trifluoromethyl)propan-1-ol
SMILESCC(C)c1ccc(C(O)C(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C13H14F6O/c1-7(2)8-3-5-9(6-4-8)10(20)11(12(14,15)16)13(17,18)19/h3-7,10-11,20H,1-2H3
InChIKeyAWKBWWQHPAEDID-UHFFFAOYSA-N
XLogP4.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-4-propan-2-ylbenzene
CID 103310672
(1S,2R)-2-amino-1-(4-propan-2-ylphenyl)propan-1-ol
CID 28743945
2-bromo-1-(4-propan-2-ylphenyl)propan-1-ol
CID 116863280
2-methyl-1-(4-propan-2-ylphenyl)propane-1,3-diol
CID 91250874
2-ethyl-1-(4-propan-2-ylphenyl)butan-1-ol
CID 61082952
(1S,3S)-3-amino-4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butan-1-ol;hydrochloride
CID 171237279
(1R,2S,3R,4S)-5,5,5-trifluoro-4-methyl-1-phenylpentane-1,2,3-triol
CID 139042519
1-(3-ethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103312595
3-(4-propan-2-ylphenyl)butan-2-ol
CID 66438061
1-[4-[4-(1-hydroxy-2-methylpropyl)phenyl]phenyl]-2-methylpropan-1-ol
CID 154573668
2-amino-1-(4-propan-2-ylphenyl)butan-1-ol
CID 43566119
(2S,3R)-4,4,4-trifluoro-3-methyl-2-(4-propan-2-ylphenyl)butanoyl chloride
CID 58288347

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-2-(trifluoromethyl)propan-1-ol?
The IUPAC name of 3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-2-(trifluoromethyl)propan-1-ol (CID 103310574) is 3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-2-(trifluoromethyl)propan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-2-(trifluoromethyl)propan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-2-(trifluoromethyl)propan-1-ol is CC(C)c1ccc(C(O)C(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-2-(trifluoromethyl)propan-1-ol?
The InChIKey is AWKBWWQHPAEDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F6O/c1-7(2)8-3-5-9(6-4-8)10(20)11(12(14,15)16)13(17,18)19/h3-7,10-11,20H,1-2H3.
What are the key properties of 3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-2-(trifluoromethyl)propan-1-ol?
3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-2-(trifluoromethyl)propan-1-ol has a molecular weight of 300.24 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-2-(trifluoromethyl)propan-1-ol is sourced from PubChem (CID 103310574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).