N-[[4-(difluoromethyl)phenyl]methyl]-2,3,5,6-tetrafluoroaniline

C14H9F6N — CID 107643770

IUPACN-[[4-(difluoromethyl)phenyl]methyl]-2,3,5,6-tetrafluoroaniline
SMILESFc1cc(F)c(F)c(NCc2ccc(C(F)F)cc2)c1F
InChIInChI=1S/C14H9F6N/c15-9-5-10(16)12(18)13(11(9)17)21-6-7-1-3-8(4-2-7)14(19)20/h1-5,14,21H,6H2
InChIKeyWKMCXGWMEPMKPN-UHFFFAOYSA-N
MW305.22 g/mol
LogP4.79
Rot. Bonds4

About N-[[4-(difluoromethyl)phenyl]methyl]-2,3,5,6-tetrafluoroaniline

N-[[4-(difluoromethyl)phenyl]methyl]-2,3,5,6-tetrafluoroaniline (PubChem CID 107643770) has the molecular formula C14H9F6N and a molecular weight of 305.22 g/mol. Its IUPAC name is N-[[4-(difluoromethyl)phenyl]methyl]-2,3,5,6-tetrafluoroaniline.

Molecular Properties

Compound NameN-[[4-(difluoromethyl)phenyl]methyl]-2,3,5,6-tetrafluoroaniline
PubChem CID107643770
Molecular FormulaC14H9F6N
Molecular Weight305.22 g/mol
Exact Mass305.06
IUPAC NameN-[[4-(difluoromethyl)phenyl]methyl]-2,3,5,6-tetrafluoroaniline
SMILESFc1cc(F)c(F)c(NCc2ccc(C(F)F)cc2)c1F
InChIInChI=1S/C14H9F6N/c15-9-5-10(16)12(18)13(11(9)17)21-6-7-1-3-8(4-2-7)14(19)20/h1-5,14,21H,6H2
InChIKeyWKMCXGWMEPMKPN-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3,5,6-tetrafluoro-N-[(4-iodophenyl)methyl]aniline
CID 107644269
N-[[4-(difluoromethyl)phenyl]methyl]-3,4-difluoroaniline
CID 115523440
4-[(2,3,5,6-tetrafluoroanilino)methyl]benzonitrile
CID 107643632
2,3,5,6-tetrafluoro-N-[(4-nitrophenyl)methyl]aniline
CID 107643575
2,3,5,6-tetrafluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 107643878
1-[4-(difluoromethyl)phenyl]-N-methylmethanamine
CID 84654057
4-[[4-(difluoromethyl)phenyl]methylamino]-2-fluorophenol
CID 115524031
N-[[4-(difluoromethyl)phenyl]methyl]-3,5-dimethylaniline
CID 115523457
3-chloro-N-[[4-(difluoromethyl)phenyl]methyl]-2-fluoroaniline
CID 115523563
2-bromo-4-[(2,3,5,6-tetrafluoroanilino)methyl]phenol
CID 107643664
N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoropyridin-3-amine
CID 114217566
2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoroaniline
CID 107632927

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-2,3,5,6-tetrafluoroaniline?
The IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-2,3,5,6-tetrafluoroaniline (CID 107643770) is N-[[4-(difluoromethyl)phenyl]methyl]-2,3,5,6-tetrafluoroaniline.
What is the SMILES notation for N-[[4-(difluoromethyl)phenyl]methyl]-2,3,5,6-tetrafluoroaniline?
The canonical SMILES for N-[[4-(difluoromethyl)phenyl]methyl]-2,3,5,6-tetrafluoroaniline is Fc1cc(F)c(F)c(NCc2ccc(C(F)F)cc2)c1F.
What is the InChIKey of N-[[4-(difluoromethyl)phenyl]methyl]-2,3,5,6-tetrafluoroaniline?
The InChIKey is WKMCXGWMEPMKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6N/c15-9-5-10(16)12(18)13(11(9)17)21-6-7-1-3-8(4-2-7)14(19)20/h1-5,14,21H,6H2.
What are the key properties of N-[[4-(difluoromethyl)phenyl]methyl]-2,3,5,6-tetrafluoroaniline?
N-[[4-(difluoromethyl)phenyl]methyl]-2,3,5,6-tetrafluoroaniline has a molecular weight of 305.22 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethyl)phenyl]methyl]-2,3,5,6-tetrafluoroaniline is sourced from PubChem (CID 107643770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).