N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoropyridin-3-amine

C13H11F3N2 — CID 114217566

IUPACN-[[4-(difluoromethyl)phenyl]methyl]-5-fluoropyridin-3-amine
SMILESFc1cncc(NCc2ccc(C(F)F)cc2)c1
InChIInChI=1S/C13H11F3N2/c14-11-5-12(8-17-7-11)18-6-9-1-3-10(4-2-9)13(15)16/h1-5,7-8,13,18H,6H2
InChIKeyBLFWNTTVMROMHQ-UHFFFAOYSA-N
MW252.24 g/mol
LogP3.77
Rot. Bonds4

About N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoropyridin-3-amine

N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoropyridin-3-amine (PubChem CID 114217566) has the molecular formula C13H11F3N2 and a molecular weight of 252.24 g/mol. Its IUPAC name is N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoropyridin-3-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethyl)phenyl]methyl]-5-fluoropyridin-3-amine
PubChem CID114217566
Molecular FormulaC13H11F3N2
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC NameN-[[4-(difluoromethyl)phenyl]methyl]-5-fluoropyridin-3-amine
SMILESFc1cncc(NCc2ccc(C(F)F)cc2)c1
InChIInChI=1S/C13H11F3N2/c14-11-5-12(8-17-7-11)18-6-9-1-3-10(4-2-9)13(15)16/h1-5,7-8,13,18H,6H2
InChIKeyBLFWNTTVMROMHQ-UHFFFAOYSA-N
XLogP3.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(difluoromethyl)phenyl]methyl]-3,4-difluoroaniline
CID 115523440
N-[[4-(difluoromethyl)phenyl]methyl]-3,5-dimethylaniline
CID 115523457
N-[[4-(difluoromethyl)phenyl]methyl]-3-fluoro-5-nitroaniline
CID 107334451
4-[[(5-fluoro-3-pyridinyl)amino]methyl]-2-methoxyphenol
CID 114254373
N-[(2,3-difluorophenyl)methyl]-5-fluoropyridin-3-amine
CID 114217557
4-[[4-(difluoromethyl)phenyl]methylamino]-2-fluorophenol
CID 115524031
N-[[4-(difluoromethyl)phenyl]methyl]-2,3,5,6-tetrafluoroaniline
CID 107643770
N-[[4-(difluoromethyl)phenyl]methyl]quinoxalin-6-amine
CID 115523823
5-fluoro-N-(2-methylpropyl)pyridin-3-amine
CID 130485397
2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoroaniline
CID 107632927
N-[(4-fluorophenyl)methyl]pyridin-3-amine
CID 14720329
5-fluoro-N-(3-methylbutyl)pyridin-3-amine
CID 126972918

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoropyridin-3-amine?
The IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoropyridin-3-amine (CID 114217566) is N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoropyridin-3-amine.
What is the SMILES notation for N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoropyridin-3-amine?
The canonical SMILES for N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoropyridin-3-amine is Fc1cncc(NCc2ccc(C(F)F)cc2)c1.
What is the InChIKey of N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoropyridin-3-amine?
The InChIKey is BLFWNTTVMROMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2/c14-11-5-12(8-17-7-11)18-6-9-1-3-10(4-2-9)13(15)16/h1-5,7-8,13,18H,6H2.
What are the key properties of N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoropyridin-3-amine?
N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoropyridin-3-amine has a molecular weight of 252.24 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoropyridin-3-amine is sourced from PubChem (CID 114217566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).