(1R)-1-[4-(2,2,2-trifluoroethyl)phenyl]ethanamine

C10H12F3N — CID 96762163

IUPAC(1R)-1-[4-(2,2,2-trifluoroethyl)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(CC(F)(F)F)cc1
InChIInChI=1S/C10H12F3N/c1-7(14)9-4-2-8(3-5-9)6-10(11,12)13/h2-5,7H,6,14H2,1H3/t7-/m1/s1
InChIKeyGPXYMXRSCUOXBH-SSDOTTSWSA-N
MW203.21 g/mol
LogP2.81
Rot. Bonds2

About (1R)-1-[4-(2,2,2-trifluoroethyl)phenyl]ethanamine

(1R)-1-[4-(2,2,2-trifluoroethyl)phenyl]ethanamine (PubChem CID 96762163) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is (1R)-1-[4-(2,2,2-trifluoroethyl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(2,2,2-trifluoroethyl)phenyl]ethanamine
PubChem CID96762163
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name(1R)-1-[4-(2,2,2-trifluoroethyl)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(CC(F)(F)F)cc1
InChIInChI=1S/C10H12F3N/c1-7(14)9-4-2-8(3-5-9)6-10(11,12)13/h2-5,7H,6,14H2,1H3/t7-/m1/s1
InChIKeyGPXYMXRSCUOXBH-SSDOTTSWSA-N
XLogP2.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(2-methoxy-2-methylpropyl)phenyl]ethanamine
CID 117110911
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
4-(2,2,2-trifluoroethyl)aniline
CID 14836858
(1S)-1-(4-propylphenyl)ethanamine
CID 7047688
1-(2,2,4,4,6,6,8,8,8-nonafluorooctyl)-4-[1-[4-(2,2,4,4,6,6,8,8,8-nonafluorooctyl)phenyl]ethyl]benzene
CID 154649197
4-[(1R)-1-aminoethyl]-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 78934960
2-methyl-3-[4-(2,2,2-trifluoroethyl)phenyl]propanoic acid
CID 84705639
ethane;1-methyl-4-(2,2,2-trifluoroethyl)benzene
CID 143144792
(1S)-1-[4-[(4-ethylphenyl)methyl]phenyl]ethanamine
CID 174082683
1-(4-benzylphenyl)ethanamine
CID 3962419
1-[4-[(dimethylamino)methyl]phenyl]ethanamine
CID 55283672
N-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
CID 84726402

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(2,2,2-trifluoroethyl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-(2,2,2-trifluoroethyl)phenyl]ethanamine (CID 96762163) is (1R)-1-[4-(2,2,2-trifluoroethyl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-(2,2,2-trifluoroethyl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-(2,2,2-trifluoroethyl)phenyl]ethanamine is C[C@@H](N)c1ccc(CC(F)(F)F)cc1.
What is the InChIKey of (1R)-1-[4-(2,2,2-trifluoroethyl)phenyl]ethanamine?
The InChIKey is GPXYMXRSCUOXBH-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12F3N/c1-7(14)9-4-2-8(3-5-9)6-10(11,12)13/h2-5,7H,6,14H2,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-[4-(2,2,2-trifluoroethyl)phenyl]ethanamine?
(1R)-1-[4-(2,2,2-trifluoroethyl)phenyl]ethanamine has a molecular weight of 203.21 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(2,2,2-trifluoroethyl)phenyl]ethanamine is sourced from PubChem (CID 96762163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).