2,2-difluoro-N-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]propanamide

C11H7F8NO2 — CID 169302931

IUPAC2,2-difluoro-N-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]propanamide
SMILESCC(F)(F)C(=O)Nc1cc(C(F)(F)F)ccc1OC(F)(F)F
InChIInChI=1S/C11H7F8NO2/c1-9(12,13)8(21)20-6-4-5(10(14,15)16)2-3-7(6)22-11(17,18)19/h2-4H,1H3,(H,20,21)
InChIKeyWHXUZTQIQLWEOK-UHFFFAOYSA-N
MW337.17 g/mol
LogP4.20
Rot. Bonds3

About 2,2-difluoro-N-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]propanamide

2,2-difluoro-N-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 169302931) has the molecular formula C11H7F8NO2 and a molecular weight of 337.17 g/mol. Its IUPAC name is 2,2-difluoro-N-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]propanamide
PubChem CID169302931
Molecular FormulaC11H7F8NO2
Molecular Weight337.17 g/mol
Exact Mass337.03
IUPAC Name2,2-difluoro-N-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]propanamide
SMILESCC(F)(F)C(=O)Nc1cc(C(F)(F)F)ccc1OC(F)(F)F
InChIInChI=1S/C11H7F8NO2/c1-9(12,13)8(21)20-6-4-5(10(14,15)16)2-3-7(6)22-11(17,18)19/h2-4H,1H3,(H,20,21)
InChIKeyWHXUZTQIQLWEOK-UHFFFAOYSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide
CID 66475481
2-(trifluoromethoxy)-5-(trifluoromethyl)benzenethiol
CID 170999264
2-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetic acid
CID 170999461
2-(2,2-dimethylpropanoylamino)-4-(trifluoromethyl)benzoic acid
CID 79532501
methyl 2-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]acetate
CID 170999571
3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide
CID 112765185
2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
CID 698335
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 86609606
[2-methoxy-5-(trifluoromethyl)phenyl]thiourea
CID 75176632
3-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 20604816
2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 4656638
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea
CID 60586531

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2,2-difluoro-N-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]propanamide (CID 169302931) is 2,2-difluoro-N-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2,2-difluoro-N-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2,2-difluoro-N-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]propanamide is CC(F)(F)C(=O)Nc1cc(C(F)(F)F)ccc1OC(F)(F)F.
What is the InChIKey of 2,2-difluoro-N-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is WHXUZTQIQLWEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F8NO2/c1-9(12,13)8(21)20-6-4-5(10(14,15)16)2-3-7(6)22-11(17,18)19/h2-4H,1H3,(H,20,21).
What are the key properties of 2,2-difluoro-N-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]propanamide?
2,2-difluoro-N-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 337.17 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 169302931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).