N-(4-bromo-2,5-difluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C13H14BrF5N2 — CID 107609894

IUPACN-(4-bromo-2,5-difluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFc1cc(NC2CCN(CC(F)(F)F)CC2)c(F)cc1Br
InChIInChI=1S/C13H14BrF5N2/c14-9-5-11(16)12(6-10(9)15)20-8-1-3-21(4-2-8)7-13(17,18)19/h5-6,8,20H,1-4,7H2
InChIKeySVGSSVXWVQWUSB-UHFFFAOYSA-N
MW373.16 g/mol
LogP4.17
Rot. Bonds3

About N-(4-bromo-2,5-difluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(4-bromo-2,5-difluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 107609894) has the molecular formula C13H14BrF5N2 and a molecular weight of 373.16 g/mol. Its IUPAC name is N-(4-bromo-2,5-difluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2,5-difluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID107609894
Molecular FormulaC13H14BrF5N2
Molecular Weight373.16 g/mol
Exact Mass372.03
IUPAC NameN-(4-bromo-2,5-difluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFc1cc(NC2CCN(CC(F)(F)F)CC2)c(F)cc1Br
InChIInChI=1S/C13H14BrF5N2/c14-9-5-11(16)12(6-10(9)15)20-8-1-3-21(4-2-8)7-13(17,18)19/h5-6,8,20H,1-4,7H2
InChIKeySVGSSVXWVQWUSB-UHFFFAOYSA-N
XLogP4.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.16
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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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-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43785130
N-(3-bromo-5-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 104938423
N-(3-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43772940
1-ethyl-N-(2,4,5-trifluorophenyl)piperidin-4-amine
CID 62816568
N-(4-iodo-2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43785266
4-bromo-5-fluoro-2-N-(1-propylpiperidin-4-yl)benzene-1,2-diamine
CID 116735684
4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzene-1,4-diamine
CID 144655800
4-bromo-5-fluoro-1-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine
CID 66111099
N-(4-bromo-2,5-difluorophenyl)-4-methylcycloheptan-1-amine
CID 107609540
4-bromo-N-cyclopropyl-5-fluoro-2-methylaniline
CID 103439382
N-[(2-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 61402160

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,5-difluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(4-bromo-2,5-difluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 107609894) is N-(4-bromo-2,5-difluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(4-bromo-2,5-difluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(4-bromo-2,5-difluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is Fc1cc(NC2CCN(CC(F)(F)F)CC2)c(F)cc1Br.
What is the InChIKey of N-(4-bromo-2,5-difluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is SVGSSVXWVQWUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF5N2/c14-9-5-11(16)12(6-10(9)15)20-8-1-3-21(4-2-8)7-13(17,18)19/h5-6,8,20H,1-4,7H2.
What are the key properties of N-(4-bromo-2,5-difluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(4-bromo-2,5-difluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 373.16 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,5-difluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 107609894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).