1-(4-chlorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine

C10H8ClF6N — CID 103309498

IUPAC1-(4-chlorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
SMILESNC(c1ccc(Cl)cc1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H8ClF6N/c11-6-3-1-5(2-4-6)7(18)8(9(12,13)14)10(15,16)17/h1-4,7-8H,18H2
InChIKeyMAQZYAGEPCQPNT-UHFFFAOYSA-N
MW291.62 g/mol
LogP4.08
Rot. Bonds2

About 1-(4-chlorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine

1-(4-chlorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine (PubChem CID 103309498) has the molecular formula C10H8ClF6N and a molecular weight of 291.62 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
PubChem CID103309498
Molecular FormulaC10H8ClF6N
Molecular Weight291.62 g/mol
Exact Mass291.02
IUPAC Name1-(4-chlorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
SMILESNC(c1ccc(Cl)cc1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H8ClF6N/c11-6-3-1-5(2-4-6)7(18)8(9(12,13)14)10(15,16)17/h1-4,7-8H,18H2
InChIKeyMAQZYAGEPCQPNT-UHFFFAOYSA-N
XLogP4.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.62
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,3R)-3-amino-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 131607985
1-(4-tert-butylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103309519
(1S)-1-(4-chlorophenyl)-2,2-difluoroethanamine;hydrochloride
CID 121438908
1-(4-chlorophenyl)-3,3-dimethylbutane-1,2-diamine
CID 69494037
(1R)-1-amino-1-(4-chlorophenyl)propan-2-ol
CID 130676173
(1R,3S)-3-amino-1-(4-chlorophenyl)-4,4,4-trifluorobutan-1-ol;hydrochloride
CID 171236995
2-amino-3-(4-chlorophenyl)-4,4,4-trifluorobutanoic acid
CID 53402028
1-(4-chlorophenyl)-2-fluoroethanamine
CID 83816513
(1S,2R)-1-amino-1-(4-chlorophenyl)-3-methylbutan-2-ol
CID 131000817
1-(4-chlorophenyl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 116724174
1-(3-chlorothiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103309707
3,3,3-trifluoro-1-(3-methylphenyl)-2-(trifluoromethyl)propan-1-amine
CID 103311689

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine (CID 103309498) is 1-(4-chlorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine is NC(c1ccc(Cl)cc1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(4-chlorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
The InChIKey is MAQZYAGEPCQPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF6N/c11-6-3-1-5(2-4-6)7(18)8(9(12,13)14)10(15,16)17/h1-4,7-8H,18H2.
What are the key properties of 1-(4-chlorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
1-(4-chlorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine has a molecular weight of 291.62 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103309498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).