N-(3-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C13H15ClF4N2 — CID 43772940

IUPACN-(3-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFc1c(Cl)cccc1NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H15ClF4N2/c14-10-2-1-3-11(12(10)15)19-9-4-6-20(7-5-9)8-13(16,17)18/h1-3,9,19H,4-8H2
InChIKeyGOCLADJIKKRFLT-UHFFFAOYSA-N
MW310.72 g/mol
LogP3.92
Rot. Bonds3

About N-(3-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(3-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 43772940) has the molecular formula C13H15ClF4N2 and a molecular weight of 310.72 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID43772940
Molecular FormulaC13H15ClF4N2
Molecular Weight310.72 g/mol
Exact Mass310.09
IUPAC NameN-(3-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFc1c(Cl)cccc1NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H15ClF4N2/c14-10-2-1-3-11(12(10)15)19-9-4-6-20(7-5-9)8-13(16,17)18/h1-3,9,19H,4-8H2
InChIKeyGOCLADJIKKRFLT-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-(4-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43785130
3-chloro-N-cyclohexyl-2-fluoroaniline
CID 28968819
4-(3-chloro-2-fluoroanilino)cyclohexan-1-ol
CID 106593601
N-(2-bromo-5-chlorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 81270640
N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-indazol-7-amine
CID 43788150
3-chloro-2-fluoro-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline
CID 63422219
N-(3-chloro-2-fluorophenyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43772839
N-(4-bromo-2,5-difluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 107609894
N-(3-chloro-2-fluorophenyl)spiro[4.5]decan-8-amine
CID 114817211
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-iodo-2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43785266

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 43772940) is N-(3-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is Fc1c(Cl)cccc1NC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is GOCLADJIKKRFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF4N2/c14-10-2-1-3-11(12(10)15)19-9-4-6-20(7-5-9)8-13(16,17)18/h1-3,9,19H,4-8H2.
What are the key properties of N-(3-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(3-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-(3-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 43772940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).