N-(4-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C13H15ClF4N2 — CID 43785130

IUPACN-(4-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFc1cc(Cl)ccc1NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H15ClF4N2/c14-9-1-2-12(11(15)7-9)19-10-3-5-20(6-4-10)8-13(16,17)18/h1-2,7,10,19H,3-6,8H2
InChIKeyLPJWCDTWRNLHIF-UHFFFAOYSA-N
MW310.72 g/mol
LogP3.92
Rot. Bonds3

About N-(4-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(4-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 43785130) has the molecular formula C13H15ClF4N2 and a molecular weight of 310.72 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID43785130
Molecular FormulaC13H15ClF4N2
Molecular Weight310.72 g/mol
Exact Mass310.09
IUPAC NameN-(4-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFc1cc(Cl)ccc1NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H15ClF4N2/c14-9-1-2-12(11(15)7-9)19-10-3-5-20(6-4-10)8-13(16,17)18/h1-2,7,10,19H,3-6,8H2
InChIKeyLPJWCDTWRNLHIF-UHFFFAOYSA-N
XLogP3.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.72
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-chlorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 81270640
N-(4-chloro-2-fluorophenyl)-1-propylpiperidin-4-amine
CID 43716478
N-(4-chloro-2-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43785106
N-(4-bromo-2,5-difluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 107609894
N-(3-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43772940
4-chloro-N-cyclohexyl-2-fluoroaniline
CID 43716554
N-(4-iodo-2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43785266
N-[(4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43772111
4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzene-1,4-diamine
CID 144655800
N-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43760602
N-(4-chloro-2-fluorophenyl)-4-ethylcycloheptan-1-amine
CID 65084049
4-chloro-2-fluoro-N-(3-methylcyclobutyl)aniline
CID 103561326

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 43785130) is N-(4-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is Fc1cc(Cl)ccc1NC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is LPJWCDTWRNLHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF4N2/c14-9-1-2-12(11(15)7-9)19-10-3-5-20(6-4-10)8-13(16,17)18/h1-2,7,10,19H,3-6,8H2.
What are the key properties of N-(4-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(4-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 310.72 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 43785130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).