2-(difluoromethoxy)-N-(2,2-difluoro-2-phenylethyl)aniline

C15H13F4NO — CID 116788816

IUPAC2-(difluoromethoxy)-N-(2,2-difluoro-2-phenylethyl)aniline
SMILESFC(F)Oc1ccccc1NCC(F)(F)c1ccccc1
InChIInChI=1S/C15H13F4NO/c16-14(17)21-13-9-5-4-8-12(13)20-10-15(18,19)11-6-2-1-3-7-11/h1-9,14,20H,10H2
InChIKeyIPIFVHWLCGCFKJ-UHFFFAOYSA-N
MW299.27 g/mol
LogP4.49
Rot. Bonds6

About 2-(difluoromethoxy)-N-(2,2-difluoro-2-phenylethyl)aniline

2-(difluoromethoxy)-N-(2,2-difluoro-2-phenylethyl)aniline (PubChem CID 116788816) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-(2,2-difluoro-2-phenylethyl)aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-(2,2-difluoro-2-phenylethyl)aniline
PubChem CID116788816
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC Name2-(difluoromethoxy)-N-(2,2-difluoro-2-phenylethyl)aniline
SMILESFC(F)Oc1ccccc1NCC(F)(F)c1ccccc1
InChIInChI=1S/C15H13F4NO/c16-14(17)21-13-9-5-4-8-12(13)20-10-15(18,19)11-6-2-1-3-7-11/h1-9,14,20H,10H2
InChIKeyIPIFVHWLCGCFKJ-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-difluoro-2-phenylethyl)-2-ethoxyaniline
CID 116788704
N-(2,2-difluoroethyl)-2-(difluoromethoxy)aniline
CID 60922273
2-(difluoromethoxy)-N-(4-phenylbutyl)aniline
CID 114333183
2-[2-(difluoromethoxy)anilino]-1-pyrrolidin-1-ylethanone
CID 43217747
1-(azepan-1-yl)-2-[2-(difluoromethoxy)anilino]ethanone
CID 43217745
2-(difluoromethoxy)-N-(3-phenoxypropyl)aniline
CID 60679690
N-(2,2-difluoro-2-phenylethyl)-2,3,4-trifluoroaniline
CID 116788722
2-(difluoromethoxy)-N-(2-methylbutyl)aniline
CID 43097160
2-[2-(difluoromethoxy)anilino]-1-morpholin-4-ylethanone
CID 43217744
2-(difluoromethoxy)-N-[[3-(difluoromethyl)phenyl]methyl]aniline
CID 115526003
2-(difluoromethoxy)-N-hexylaniline
CID 28877775
4-[[2-(difluoromethoxy)anilino]methyl]phenol
CID 28623945

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-(2,2-difluoro-2-phenylethyl)aniline?
The IUPAC name of 2-(difluoromethoxy)-N-(2,2-difluoro-2-phenylethyl)aniline (CID 116788816) is 2-(difluoromethoxy)-N-(2,2-difluoro-2-phenylethyl)aniline.
What is the SMILES notation for 2-(difluoromethoxy)-N-(2,2-difluoro-2-phenylethyl)aniline?
The canonical SMILES for 2-(difluoromethoxy)-N-(2,2-difluoro-2-phenylethyl)aniline is FC(F)Oc1ccccc1NCC(F)(F)c1ccccc1.
What is the InChIKey of 2-(difluoromethoxy)-N-(2,2-difluoro-2-phenylethyl)aniline?
The InChIKey is IPIFVHWLCGCFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO/c16-14(17)21-13-9-5-4-8-12(13)20-10-15(18,19)11-6-2-1-3-7-11/h1-9,14,20H,10H2.
What are the key properties of 2-(difluoromethoxy)-N-(2,2-difluoro-2-phenylethyl)aniline?
2-(difluoromethoxy)-N-(2,2-difluoro-2-phenylethyl)aniline has a molecular weight of 299.27 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-(2,2-difluoro-2-phenylethyl)aniline is sourced from PubChem (CID 116788816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).