1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-2-ol

C15H21F3O — CID 79952878

IUPAC1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-2-ol
SMILESCC(C)(C)c1ccc(CC(O)CCC(F)(F)F)cc1
InChIInChI=1S/C15H21F3O/c1-14(2,3)12-6-4-11(5-7-12)10-13(19)8-9-15(16,17)18/h4-7,13,19H,8-10H2,1-3H3
InChIKeyQGQNHKKLKCRDPQ-UHFFFAOYSA-N
MW274.33 g/mol
LogP4.23
Rot. Bonds4

About 1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-2-ol

1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-2-ol (PubChem CID 79952878) has the molecular formula C15H21F3O and a molecular weight of 274.33 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-2-ol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-2-ol
PubChem CID79952878
Molecular FormulaC15H21F3O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-2-ol
SMILESCC(C)(C)c1ccc(CC(O)CCC(F)(F)F)cc1
InChIInChI=1S/C15H21F3O/c1-14(2,3)12-6-4-11(5-7-12)10-13(19)8-9-15(16,17)18/h4-7,13,19H,8-10H2,1-3H3
InChIKeyQGQNHKKLKCRDPQ-UHFFFAOYSA-N
XLogP4.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-ol
CID 79953429
(2R)-3-(4-tert-butylphenyl)-1,1,1-trifluoropropan-2-ol
CID 94905405
1-(4-tert-butylphenyl)-3-(4-chlorophenyl)propan-2-ol
CID 63410107
4-(4-tert-butylphenyl)-3-hydroxybutanenitrile
CID 82079041
4-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 65148752
4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 55095519
4-(2,2,2-trifluoroethoxy)-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 103147476
1-(3-bromo-4-fluorophenyl)-5,5,5-trifluoropentan-2-ol
CID 79954757
ethyl (3S)-4-(4-tert-butylphenyl)-3-hydroxybutanoate
CID 125465976
5-(4-tert-butylphenyl)-4-methylpentan-2-ol
CID 64719679
1-methoxy-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 62606366
1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-1-amine
CID 105024260

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-2-ol?
The IUPAC name of 1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-2-ol (CID 79952878) is 1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-2-ol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-2-ol?
The canonical SMILES for 1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-2-ol is CC(C)(C)c1ccc(CC(O)CCC(F)(F)F)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-2-ol?
The InChIKey is QGQNHKKLKCRDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3O/c1-14(2,3)12-6-4-11(5-7-12)10-13(19)8-9-15(16,17)18/h4-7,13,19H,8-10H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-2-ol?
1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-2-ol has a molecular weight of 274.33 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-2-ol is sourced from PubChem (CID 79952878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).