1-[4-(2,2,2-trifluoroethylamino)phenyl]propan-2-ol

C11H14F3NO — CID 158835126

IUPAC1-[4-(2,2,2-trifluoroethylamino)phenyl]propan-2-ol
SMILESCC(O)Cc1ccc(NCC(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO/c1-8(16)6-9-2-4-10(5-3-9)15-7-11(12,13)14/h2-5,8,15-16H,6-7H2,1H3
InChIKeyIXNNZUJJOJGKOM-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.58
Rot. Bonds4

About 1-[4-(2,2,2-trifluoroethylamino)phenyl]propan-2-ol

1-[4-(2,2,2-trifluoroethylamino)phenyl]propan-2-ol (PubChem CID 158835126) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-[4-(2,2,2-trifluoroethylamino)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(2,2,2-trifluoroethylamino)phenyl]propan-2-ol
PubChem CID158835126
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name1-[4-(2,2,2-trifluoroethylamino)phenyl]propan-2-ol
SMILESCC(O)Cc1ccc(NCC(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO/c1-8(16)6-9-2-4-10(5-3-9)15-7-11(12,13)14/h2-5,8,15-16H,6-7H2,1H3
InChIKeyIXNNZUJJOJGKOM-UHFFFAOYSA-N
XLogP2.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(methylamino)phenyl]propan-2-ol
CID 142796723
1-[4-(2,2,2-trifluoroethylamino)phenyl]ethanone
CID 24826943
4-methoxy-N-(2,2,2-trifluoroethyl)aniline
CID 28585897
N-(2,2,2-trifluoroethyl)aniline
CID 9596
N-methyl-4-(2,2,2-trifluoroethylamino)benzamide
CID 59156701
4-(2-hydroxypropyl)benzonitrile
CID 66671297
4-ethylsulfonyl-N-(2,2,2-trifluoroethyl)aniline
CID 43453365
1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-2-ol
CID 115495880
1-[4-(2-methylsulfonylpropan-2-yl)phenyl]propan-2-ol
CID 117114490
4-N,4-N-dipropyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine
CID 83962209
4-(difluoromethylsulfonyl)-N-(2,2,2-trifluoroethyl)aniline
CID 43383566
N-methyl-4-(2,2,2-trifluoroethylamino)benzenesulfonamide
CID 43453835

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2,2-trifluoroethylamino)phenyl]propan-2-ol?
The IUPAC name of 1-[4-(2,2,2-trifluoroethylamino)phenyl]propan-2-ol (CID 158835126) is 1-[4-(2,2,2-trifluoroethylamino)phenyl]propan-2-ol.
What is the SMILES notation for 1-[4-(2,2,2-trifluoroethylamino)phenyl]propan-2-ol?
The canonical SMILES for 1-[4-(2,2,2-trifluoroethylamino)phenyl]propan-2-ol is CC(O)Cc1ccc(NCC(F)(F)F)cc1.
What is the InChIKey of 1-[4-(2,2,2-trifluoroethylamino)phenyl]propan-2-ol?
The InChIKey is IXNNZUJJOJGKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-8(16)6-9-2-4-10(5-3-9)15-7-11(12,13)14/h2-5,8,15-16H,6-7H2,1H3.
What are the key properties of 1-[4-(2,2,2-trifluoroethylamino)phenyl]propan-2-ol?
1-[4-(2,2,2-trifluoroethylamino)phenyl]propan-2-ol has a molecular weight of 233.23 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2,2-trifluoroethylamino)phenyl]propan-2-ol is sourced from PubChem (CID 158835126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).