2-fluoro-N-(2,2,2-trifluoroethyl)benzamide

C9H7F4NO — CID 51072699

IUPAC2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1ccccc1F
InChIInChI=1S/C9H7F4NO/c10-7-4-2-1-3-6(7)8(15)14-5-9(11,12)13/h1-4H,5H2,(H,14,15)
InChIKeyVMJAZQDJFQYYBT-UHFFFAOYSA-N
MW221.15 g/mol
LogP2.12
Rot. Bonds2

About 2-fluoro-N-(2,2,2-trifluoroethyl)benzamide

2-fluoro-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 51072699) has the molecular formula C9H7F4NO and a molecular weight of 221.15 g/mol. Its IUPAC name is 2-fluoro-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID51072699
Molecular FormulaC9H7F4NO
Molecular Weight221.15 g/mol
Exact Mass221.05
IUPAC Name2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1ccccc1F
InChIInChI=1S/C9H7F4NO/c10-7-4-2-1-3-6(7)8(15)14-5-9(11,12)13/h1-4H,5H2,(H,14,15)
InChIKeyVMJAZQDJFQYYBT-UHFFFAOYSA-N
XLogP2.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.15
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 90497940
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2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79550785
2-(ethylamino)-3-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 55100188
2-[(2-fluorophenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 8843582
2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62510396
2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 8025476
N-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-2-oxoethyl]-2-fluorobenzamide
CID 104864887
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
2-fluoro-N-prop-2-enylbenzamide
CID 4125319
N-(2-aminoethyl)-2-(2,2,2-trifluoroethylcarbamoylamino)benzamide
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2-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]benzamide
CID 65110344

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-fluoro-N-(2,2,2-trifluoroethyl)benzamide (CID 51072699) is 2-fluoro-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-fluoro-N-(2,2,2-trifluoroethyl)benzamide is O=C(NCC(F)(F)F)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is VMJAZQDJFQYYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F4NO/c10-7-4-2-1-3-6(7)8(15)14-5-9(11,12)13/h1-4H,5H2,(H,14,15).
What are the key properties of 2-fluoro-N-(2,2,2-trifluoroethyl)benzamide?
2-fluoro-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 221.15 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 51072699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).