N-(1,1-difluoropropan-2-yl)-2-phenoxyaniline

C15H15F2NO — CID 102867685

IUPACN-(1,1-difluoropropan-2-yl)-2-phenoxyaniline
SMILESCC(Nc1ccccc1Oc1ccccc1)C(F)F
InChIInChI=1S/C15H15F2NO/c1-11(15(16)17)18-13-9-5-6-10-14(13)19-12-7-3-2-4-8-12/h2-11,15,18H,1H3
InChIKeyYEQGUEVGRAVJOC-UHFFFAOYSA-N
MW263.29 g/mol
LogP4.54
Rot. Bonds5

About N-(1,1-difluoropropan-2-yl)-2-phenoxyaniline

N-(1,1-difluoropropan-2-yl)-2-phenoxyaniline (PubChem CID 102867685) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)-2-phenoxyaniline.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)-2-phenoxyaniline
PubChem CID102867685
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC NameN-(1,1-difluoropropan-2-yl)-2-phenoxyaniline
SMILESCC(Nc1ccccc1Oc1ccccc1)C(F)F
InChIInChI=1S/C15H15F2NO/c1-11(15(16)17)18-13-9-5-6-10-14(13)19-12-7-3-2-4-8-12/h2-11,15,18H,1H3
InChIKeyYEQGUEVGRAVJOC-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 22961955
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CID 109011722
N-(2-phenoxyphenyl)-2-phenylpropanamide
CID 2933761
N-(2-methylpropyl)-N'-(2-phenoxyphenyl)propanediamide
CID 108941713
1-phenoxy-2-[1-(2-phenoxyphenyl)ethyl]benzene
CID 139761762
(2-phenoxyphenyl)cyanamide
CID 62482258
1,1-difluoro-N-(2-phenoxyethyl)propan-2-amine
CID 102869382
2-(4-fluorophenoxy)-N-(2-phenoxyphenyl)propanamide
CID 21368419
N-but-2-ynyl-2-phenoxyaniline
CID 62309532
2-[(2-phenoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 1251991
N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-phenoxyaniline
CID 106437297

Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)-2-phenoxyaniline?
The IUPAC name of N-(1,1-difluoropropan-2-yl)-2-phenoxyaniline (CID 102867685) is N-(1,1-difluoropropan-2-yl)-2-phenoxyaniline.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)-2-phenoxyaniline?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)-2-phenoxyaniline is CC(Nc1ccccc1Oc1ccccc1)C(F)F.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)-2-phenoxyaniline?
The InChIKey is YEQGUEVGRAVJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-11(15(16)17)18-13-9-5-6-10-14(13)19-12-7-3-2-4-8-12/h2-11,15,18H,1H3.
What are the key properties of N-(1,1-difluoropropan-2-yl)-2-phenoxyaniline?
N-(1,1-difluoropropan-2-yl)-2-phenoxyaniline has a molecular weight of 263.29 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropan-2-yl)-2-phenoxyaniline is sourced from PubChem (CID 102867685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).