N-(2,2-difluoro-2-phenylethyl)-2,3,4-trifluoroaniline

C14H10F5N — CID 116788722

IUPACN-(2,2-difluoro-2-phenylethyl)-2,3,4-trifluoroaniline
SMILESFc1ccc(NCC(F)(F)c2ccccc2)c(F)c1F
InChIInChI=1S/C14H10F5N/c15-10-6-7-11(13(17)12(10)16)20-8-14(18,19)9-4-2-1-3-5-9/h1-7,20H,8H2
InChIKeyNMAWGPZMCJQDRC-UHFFFAOYSA-N
MW287.23 g/mol
LogP4.31
Rot. Bonds4

About N-(2,2-difluoro-2-phenylethyl)-2,3,4-trifluoroaniline

N-(2,2-difluoro-2-phenylethyl)-2,3,4-trifluoroaniline (PubChem CID 116788722) has the molecular formula C14H10F5N and a molecular weight of 287.23 g/mol. Its IUPAC name is N-(2,2-difluoro-2-phenylethyl)-2,3,4-trifluoroaniline.

Molecular Properties

Compound NameN-(2,2-difluoro-2-phenylethyl)-2,3,4-trifluoroaniline
PubChem CID116788722
Molecular FormulaC14H10F5N
Molecular Weight287.23 g/mol
Exact Mass287.07
IUPAC NameN-(2,2-difluoro-2-phenylethyl)-2,3,4-trifluoroaniline
SMILESFc1ccc(NCC(F)(F)c2ccccc2)c(F)c1F
InChIInChI=1S/C14H10F5N/c15-10-6-7-11(13(17)12(10)16)20-8-14(18,19)9-4-2-1-3-5-9/h1-7,20H,8H2
InChIKeyNMAWGPZMCJQDRC-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(2,2-difluoro-2-phenylethyl)-2-fluoroaniline
CID 116788850
N-(2,2-difluoro-2-phenylethyl)-2,3,4,5,6-pentafluoroaniline
CID 162537681
2-bromo-N-(2,2-difluoro-2-phenylethyl)aniline
CID 116788759
(2,2-difluoro-2-phenylethyl)hydrazine
CID 116788671
2-[(2,2-difluoro-2-phenylethyl)amino]-5-fluorobenzonitrile
CID 116789232
2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide;hydrochloride
CID 142661724
4-bromo-2-chloro-N-(2,2-difluoro-2-phenylethyl)aniline
CID 116788818
2-bromo-N-(2,2-difluoro-2-phenylethyl)-3-methylaniline
CID 116789222
N-(2,2-difluoro-2-phenylethyl)-2-ethoxyaniline
CID 116788704
2-(difluoromethoxy)-N-(2,2-difluoro-2-phenylethyl)aniline
CID 116788816
3-bromo-4-[(2,2-difluoro-2-phenylethyl)amino]benzonitrile
CID 107789820
3-chloro-N-(2,2-difluoro-2-phenylethyl)aniline
CID 116788755

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-2-phenylethyl)-2,3,4-trifluoroaniline?
The IUPAC name of N-(2,2-difluoro-2-phenylethyl)-2,3,4-trifluoroaniline (CID 116788722) is N-(2,2-difluoro-2-phenylethyl)-2,3,4-trifluoroaniline.
What is the SMILES notation for N-(2,2-difluoro-2-phenylethyl)-2,3,4-trifluoroaniline?
The canonical SMILES for N-(2,2-difluoro-2-phenylethyl)-2,3,4-trifluoroaniline is Fc1ccc(NCC(F)(F)c2ccccc2)c(F)c1F.
What is the InChIKey of N-(2,2-difluoro-2-phenylethyl)-2,3,4-trifluoroaniline?
The InChIKey is NMAWGPZMCJQDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5N/c15-10-6-7-11(13(17)12(10)16)20-8-14(18,19)9-4-2-1-3-5-9/h1-7,20H,8H2.
What are the key properties of N-(2,2-difluoro-2-phenylethyl)-2,3,4-trifluoroaniline?
N-(2,2-difluoro-2-phenylethyl)-2,3,4-trifluoroaniline has a molecular weight of 287.23 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-2-phenylethyl)-2,3,4-trifluoroaniline is sourced from PubChem (CID 116788722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).