3-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide

C10H9F4NO2 — CID 156722435

IUPAC3-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide
SMILESCC(Oc1c(F)cccc1C(N)=O)C(F)(F)F
InChIInChI=1S/C10H9F4NO2/c1-5(10(12,13)14)17-8-6(9(15)16)3-2-4-7(8)11/h2-5H,1H3,(H2,15,16)
InChIKeyLJUDUDAWJWSISK-UHFFFAOYSA-N
MW251.18 g/mol
LogP2.25
Rot. Bonds3

About 3-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide

3-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide (PubChem CID 156722435) has the molecular formula C10H9F4NO2 and a molecular weight of 251.18 g/mol. Its IUPAC name is 3-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide.

Molecular Properties

Compound Name3-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide
PubChem CID156722435
Molecular FormulaC10H9F4NO2
Molecular Weight251.18 g/mol
Exact Mass251.06
IUPAC Name3-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide
SMILESCC(Oc1c(F)cccc1C(N)=O)C(F)(F)F
InChIInChI=1S/C10H9F4NO2/c1-5(10(12,13)14)17-8-6(9(15)16)3-2-4-7(8)11/h2-5H,1H3,(H2,15,16)
InChIKeyLJUDUDAWJWSISK-UHFFFAOYSA-N
XLogP2.25
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.18
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzoic acid
CID 66276514
3-fluoro-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 156722490
3-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 56986321
3-[(7R)-7-hydroxy-7-methyl-5,6-dihydropyrrolo[1,2-a]imidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide
CID 175955603
3-fluoro-2-(trifluoromethyl)benzamide
CID 2774778
3-nitro-2-(1,1,1-trifluoropropan-2-yloxy)benzoic acid
CID 112576193
2-tert-butyl-3-fluorobenzamide
CID 118328410
2-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzoic acid
CID 69287496
2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-one
CID 82399071
3-fluoro-2-(1-phenylethoxy)benzoic acid
CID 55101618
2-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide
CID 140800245
ethyl 2-(difluoromethoxy)-3-fluorobenzoate
CID 170997086

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide?
The IUPAC name of 3-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide (CID 156722435) is 3-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide.
What is the SMILES notation for 3-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide?
The canonical SMILES for 3-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide is CC(Oc1c(F)cccc1C(N)=O)C(F)(F)F.
What is the InChIKey of 3-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide?
The InChIKey is LJUDUDAWJWSISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO2/c1-5(10(12,13)14)17-8-6(9(15)16)3-2-4-7(8)11/h2-5H,1H3,(H2,15,16).
What are the key properties of 3-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide?
3-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide has a molecular weight of 251.18 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide is sourced from PubChem (CID 156722435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).