(1S)-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-amine

C10H11ClF3N — CID 171219105

IUPAC(1S)-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-amine
SMILESN[C@@H](CCC(F)(F)F)c1cccc(Cl)c1
InChIInChI=1S/C10H11ClF3N/c11-8-3-1-2-7(6-8)9(15)4-5-10(12,13)14/h1-3,6,9H,4-5,15H2/t9-/m0/s1
InChIKeyCULQTCGEZVHEAL-VIFPVBQESA-N
MW237.65 g/mol
LogP3.68
Rot. Bonds3

About (1S)-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-amine

(1S)-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-amine (PubChem CID 171219105) has the molecular formula C10H11ClF3N and a molecular weight of 237.65 g/mol. Its IUPAC name is (1S)-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name(1S)-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-amine
PubChem CID171219105
Molecular FormulaC10H11ClF3N
Molecular Weight237.65 g/mol
Exact Mass237.05
IUPAC Name(1S)-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-amine
SMILESN[C@@H](CCC(F)(F)F)c1cccc(Cl)c1
InChIInChI=1S/C10H11ClF3N/c11-8-3-1-2-7(6-8)9(15)4-5-10(12,13)14/h1-3,6,9H,4-5,15H2/t9-/m0/s1
InChIKeyCULQTCGEZVHEAL-VIFPVBQESA-N
XLogP3.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(3,5-dichlorophenyl)-5,5,5-trifluoropentan-1-amine
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CID 171198017
1-(3-chlorophenyl)-4-methylpent-4-en-1-amine
CID 114474120
(1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 171200921
4,4,4-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine
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CID 117242628

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of (1S)-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-amine (CID 171219105) is (1S)-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for (1S)-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for (1S)-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-amine is N[C@@H](CCC(F)(F)F)c1cccc(Cl)c1.
What is the InChIKey of (1S)-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is CULQTCGEZVHEAL-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11ClF3N/c11-8-3-1-2-7(6-8)9(15)4-5-10(12,13)14/h1-3,6,9H,4-5,15H2/t9-/m0/s1.
What are the key properties of (1S)-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-amine?
(1S)-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-amine has a molecular weight of 237.65 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 171219105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).