N-[[4-(difluoromethyl)phenyl]methyl]-3,4-difluoroaniline

C14H11F4N — CID 115523440

IUPACN-[[4-(difluoromethyl)phenyl]methyl]-3,4-difluoroaniline
SMILESFc1ccc(NCc2ccc(C(F)F)cc2)cc1F
InChIInChI=1S/C14H11F4N/c15-12-6-5-11(7-13(12)16)19-8-9-1-3-10(4-2-9)14(17)18/h1-7,14,19H,8H2
InChIKeyUHLORJGGZNWVDR-UHFFFAOYSA-N
MW269.24 g/mol
LogP4.51
Rot. Bonds4

About N-[[4-(difluoromethyl)phenyl]methyl]-3,4-difluoroaniline

N-[[4-(difluoromethyl)phenyl]methyl]-3,4-difluoroaniline (PubChem CID 115523440) has the molecular formula C14H11F4N and a molecular weight of 269.24 g/mol. Its IUPAC name is N-[[4-(difluoromethyl)phenyl]methyl]-3,4-difluoroaniline.

Molecular Properties

Compound NameN-[[4-(difluoromethyl)phenyl]methyl]-3,4-difluoroaniline
PubChem CID115523440
Molecular FormulaC14H11F4N
Molecular Weight269.24 g/mol
Exact Mass269.08
IUPAC NameN-[[4-(difluoromethyl)phenyl]methyl]-3,4-difluoroaniline
SMILESFc1ccc(NCc2ccc(C(F)F)cc2)cc1F
InChIInChI=1S/C14H11F4N/c15-12-6-5-11(7-13(12)16)19-8-9-1-3-10(4-2-9)14(17)18/h1-7,14,19H,8H2
InChIKeyUHLORJGGZNWVDR-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[4-(difluoromethyl)phenyl]methylamino]-2-fluorophenol
CID 115524031
N-benzyl-3,4-difluoroaniline
CID 21321396
3,4-difluoro-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 29267990
N-[[4-(difluoromethyl)phenyl]methyl]-2,3,5,6-tetrafluoroaniline
CID 107643770
N-[[4-(difluoromethyl)phenyl]methyl]quinoxalin-6-amine
CID 115523823
N-[[4-(difluoromethyl)phenyl]methyl]-3,5-dimethylaniline
CID 115523457
4-chloro-N-[(3,4-difluorophenyl)methyl]-3-fluoroaniline
CID 43721394
N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoropyridin-3-amine
CID 114217566
3,4-difluoro-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]aniline
CID 82538570
N-[4-[(3,4-difluoroanilino)methyl]phenyl]propane-2-sulfonamide
CID 70939016
4-butan-2-yl-N-[(3,4-difluorophenyl)methyl]aniline
CID 43230078
3-bromo-N-[(3,4-difluorophenyl)methyl]-4-fluoroaniline
CID 115650344

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-3,4-difluoroaniline?
The IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-3,4-difluoroaniline (CID 115523440) is N-[[4-(difluoromethyl)phenyl]methyl]-3,4-difluoroaniline.
What is the SMILES notation for N-[[4-(difluoromethyl)phenyl]methyl]-3,4-difluoroaniline?
The canonical SMILES for N-[[4-(difluoromethyl)phenyl]methyl]-3,4-difluoroaniline is Fc1ccc(NCc2ccc(C(F)F)cc2)cc1F.
What is the InChIKey of N-[[4-(difluoromethyl)phenyl]methyl]-3,4-difluoroaniline?
The InChIKey is UHLORJGGZNWVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4N/c15-12-6-5-11(7-13(12)16)19-8-9-1-3-10(4-2-9)14(17)18/h1-7,14,19H,8H2.
What are the key properties of N-[[4-(difluoromethyl)phenyl]methyl]-3,4-difluoroaniline?
N-[[4-(difluoromethyl)phenyl]methyl]-3,4-difluoroaniline has a molecular weight of 269.24 g/mol, XLogP of 4.51, 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]-3,4-difluoroaniline is sourced from PubChem (CID 115523440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).