1-(3-chloro-4-pyridinyl)-4,4,4-trifluorobutan-1-amine

C9H10ClF3N2 — CID 112631132

IUPAC1-(3-chloro-4-pyridinyl)-4,4,4-trifluorobutan-1-amine
SMILESNC(CCC(F)(F)F)c1ccncc1Cl
InChIInChI=1S/C9H10ClF3N2/c10-7-5-15-4-2-6(7)8(14)1-3-9(11,12)13/h2,4-5,8H,1,3,14H2
InChIKeyWIVQYIKZXFPSCX-UHFFFAOYSA-N
MW238.64 g/mol
LogP3.08
Rot. Bonds3

About 1-(3-chloro-4-pyridinyl)-4,4,4-trifluorobutan-1-amine

1-(3-chloro-4-pyridinyl)-4,4,4-trifluorobutan-1-amine (PubChem CID 112631132) has the molecular formula C9H10ClF3N2 and a molecular weight of 238.64 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-4,4,4-trifluorobutan-1-amine
PubChem CID112631132
Molecular FormulaC9H10ClF3N2
Molecular Weight238.64 g/mol
Exact Mass238.05
IUPAC Name1-(3-chloro-4-pyridinyl)-4,4,4-trifluorobutan-1-amine
SMILESNC(CCC(F)(F)F)c1ccncc1Cl
InChIInChI=1S/C9H10ClF3N2/c10-7-5-15-4-2-6(7)8(14)1-3-9(11,12)13/h2,4-5,8H,1,3,14H2
InChIKeyWIVQYIKZXFPSCX-UHFFFAOYSA-N
XLogP3.08
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.64
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-4-pyridinyl)-4,4,4-trifluorobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine
CID 171218356
(1R)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride
CID 171198839
(1R)-1-(3-chloro-4-pyridinyl)-2-fluoroethanamine;hydrochloride
CID 171218336
1-(3-chloro-4-pyridinyl)pentan-1-amine
CID 55270416
(1S)-1-(3-chloro-4-pyridinyl)hexan-1-amine
CID 171218349
1-(3-chloro-4-pyridinyl)undecan-1-amine
CID 105138168
(1S)-1-(2-chlorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171231678
(1S)-1-(3,5-dichloro-4-pyridinyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171224240
(3-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 105142603
(1R)-1-(3-chloro-4-pyridinyl)-2,2-difluoroethanamine
CID 131150469
1-(3-chloro-4-pyridinyl)-3-methylbut-3-en-1-amine
CID 105163006
(1S)-1-(2,3-dichlorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171224120

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-4,4,4-trifluorobutan-1-amine (CID 112631132) is 1-(3-chloro-4-pyridinyl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-4,4,4-trifluorobutan-1-amine is NC(CCC(F)(F)F)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is WIVQYIKZXFPSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2/c10-7-5-15-4-2-6(7)8(14)1-3-9(11,12)13/h2,4-5,8H,1,3,14H2.
What are the key properties of 1-(3-chloro-4-pyridinyl)-4,4,4-trifluorobutan-1-amine?
1-(3-chloro-4-pyridinyl)-4,4,4-trifluorobutan-1-amine has a molecular weight of 238.64 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 112631132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).