N-(2,2-difluoroethyl)-2-(difluoromethoxy)aniline

C9H9F4NO — CID 60922273

IUPACN-(2,2-difluoroethyl)-2-(difluoromethoxy)aniline
SMILESFC(F)CNc1ccccc1OC(F)F
InChIInChI=1S/C9H9F4NO/c10-8(11)5-14-6-3-1-2-4-7(6)15-9(12)13/h1-4,8-9,14H,5H2
InChIKeyYDRNDKBQLSRYBP-UHFFFAOYSA-N
MW223.17 g/mol
LogP2.96
Rot. Bonds5

About N-(2,2-difluoroethyl)-2-(difluoromethoxy)aniline

N-(2,2-difluoroethyl)-2-(difluoromethoxy)aniline (PubChem CID 60922273) has the molecular formula C9H9F4NO and a molecular weight of 223.17 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-(difluoromethoxy)aniline.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-(difluoromethoxy)aniline
PubChem CID60922273
Molecular FormulaC9H9F4NO
Molecular Weight223.17 g/mol
Exact Mass223.06
IUPAC NameN-(2,2-difluoroethyl)-2-(difluoromethoxy)aniline
SMILESFC(F)CNc1ccccc1OC(F)F
InChIInChI=1S/C9H9F4NO/c10-8(11)5-14-6-3-1-2-4-7(6)15-9(12)13/h1-4,8-9,14H,5H2
InChIKeyYDRNDKBQLSRYBP-UHFFFAOYSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(difluoromethoxy)-N-(2-methylbutyl)aniline
CID 43097160
1-[2-(difluoromethoxy)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60900433
2-[2-(difluoromethoxy)anilino]-1-pyrrolidin-1-ylethanone
CID 43217747
N-[(3,5-dichlorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 60788909
N-decyl-2-(difluoromethoxy)aniline
CID 63489062
2-(difluoromethoxy)-N-hexylaniline
CID 28877775
4-[[2-(difluoromethoxy)anilino]methyl]phenol
CID 28623945
2-(difluoromethoxy)-N-(2,2-difluoro-2-phenylethyl)aniline
CID 116788816
1-(azepan-1-yl)-2-[2-(difluoromethoxy)anilino]ethanone
CID 43217745
2-(difluoromethoxy)-N-(4-phenylbutyl)aniline
CID 114333183
2-(difluoromethoxy)-N-(3-phenoxypropyl)aniline
CID 60679690
2-[2-(difluoromethoxy)anilino]-1-morpholin-4-ylethanone
CID 43217744

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-(difluoromethoxy)aniline?
The IUPAC name of N-(2,2-difluoroethyl)-2-(difluoromethoxy)aniline (CID 60922273) is N-(2,2-difluoroethyl)-2-(difluoromethoxy)aniline.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-(difluoromethoxy)aniline?
The canonical SMILES for N-(2,2-difluoroethyl)-2-(difluoromethoxy)aniline is FC(F)CNc1ccccc1OC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-2-(difluoromethoxy)aniline?
The InChIKey is YDRNDKBQLSRYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4NO/c10-8(11)5-14-6-3-1-2-4-7(6)15-9(12)13/h1-4,8-9,14H,5H2.
What are the key properties of N-(2,2-difluoroethyl)-2-(difluoromethoxy)aniline?
N-(2,2-difluoroethyl)-2-(difluoromethoxy)aniline has a molecular weight of 223.17 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-(difluoromethoxy)aniline is sourced from PubChem (CID 60922273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).