N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)aniline

C9H7F6N — CID 63037190

IUPACN-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)aniline
SMILESFc1ccc(C(F)(F)F)cc1NCC(F)F
InChIInChI=1S/C9H7F6N/c10-6-2-1-5(9(13,14)15)3-7(6)16-4-8(11)12/h1-3,8,16H,4H2
InChIKeyKQEGYUHDDMFLBV-UHFFFAOYSA-N
MW243.15 g/mol
LogP3.52
Rot. Bonds3

About N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)aniline

N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)aniline (PubChem CID 63037190) has the molecular formula C9H7F6N and a molecular weight of 243.15 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)aniline
PubChem CID63037190
Molecular FormulaC9H7F6N
Molecular Weight243.15 g/mol
Exact Mass243.05
IUPAC NameN-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)aniline
SMILESFc1ccc(C(F)(F)F)cc1NCC(F)F
InChIInChI=1S/C9H7F6N/c10-6-2-1-5(9(13,14)15)3-7(6)16-4-8(11)12/h1-3,8,16H,4H2
InChIKeyKQEGYUHDDMFLBV-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63462098
1-[2-fluoro-5-(trifluoromethyl)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 63036846
2-fluoro-N-prop-2-ynyl-5-(trifluoromethyl)aniline
CID 63036318
2-fluoro-N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 63036121
N-(2-bromoprop-2-enyl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63036495
4-[2-fluoro-5-(trifluoromethyl)anilino]butan-1-ol
CID 63036135
N-(2-chloroprop-2-enyl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63036670
1-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol
CID 65210798
2-fluoro-N-(3-phenylpropyl)-5-(trifluoromethyl)aniline
CID 63462918
N-[(3,4-dimethylphenyl)methyl]-2-fluoro-5-(trifluoromethyl)aniline
CID 63463408
N-(2,6-dimethylheptan-4-yl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63462426
4-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol
CID 63463410

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)aniline?
The IUPAC name of N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)aniline (CID 63037190) is N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)aniline.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)aniline?
The canonical SMILES for N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)aniline is Fc1ccc(C(F)(F)F)cc1NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)aniline?
The InChIKey is KQEGYUHDDMFLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6N/c10-6-2-1-5(9(13,14)15)3-7(6)16-4-8(11)12/h1-3,8,16H,4H2.
What are the key properties of N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)aniline?
N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)aniline has a molecular weight of 243.15 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)aniline is sourced from PubChem (CID 63037190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).