3,4,5-trifluoro-N-(3,3,3-trifluoropropyl)benzamide

C10H7F6NO — CID 55175919

IUPAC3,4,5-trifluoro-N-(3,3,3-trifluoropropyl)benzamide
SMILESO=C(NCCC(F)(F)F)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C10H7F6NO/c11-6-3-5(4-7(12)8(6)13)9(18)17-2-1-10(14,15)16/h3-4H,1-2H2,(H,17,18)
InChIKeyABOSCCVRRKFSPR-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.79
Rot. Bonds3

About 3,4,5-trifluoro-N-(3,3,3-trifluoropropyl)benzamide

3,4,5-trifluoro-N-(3,3,3-trifluoropropyl)benzamide (PubChem CID 55175919) has the molecular formula C10H7F6NO and a molecular weight of 271.16 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-(3,3,3-trifluoropropyl)benzamide.

Molecular Properties

Compound Name3,4,5-trifluoro-N-(3,3,3-trifluoropropyl)benzamide
PubChem CID55175919
Molecular FormulaC10H7F6NO
Molecular Weight271.16 g/mol
Exact Mass271.04
IUPAC Name3,4,5-trifluoro-N-(3,3,3-trifluoropropyl)benzamide
SMILESO=C(NCCC(F)(F)F)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C10H7F6NO/c11-6-3-5(4-7(12)8(6)13)9(18)17-2-1-10(14,15)16/h3-4H,1-2H2,(H,17,18)
InChIKeyABOSCCVRRKFSPR-UHFFFAOYSA-N
XLogP2.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-3-sulfanyl-N-(3,3,3-trifluoropropyl)benzamide
CID 107029487
N-(5-amino-5-oxopentyl)-3,4,5-trifluorobenzamide
CID 103896382
3,4,5-trifluoro-N-[(E)-pent-3-enyl]benzamide
CID 115627840
3,4,5-trifluoro-N-pent-4-ynylbenzamide
CID 103708893
N-[2-(cyclopropanecarbonylamino)ethyl]-3,4,5-trifluorobenzamide
CID 115610674
N-(4-amino-2,2-dimethylbutyl)-3,4,5-trifluorobenzamide
CID 106139619
2-hydroxy-4-[(3,4,5-trifluorobenzoyl)amino]butanoic acid
CID 114006336
3,4,5-trifluoro-N-(2-oxopropyl)benzamide
CID 64997335
3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)benzamide
CID 104578530
4-bromo-3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)benzamide
CID 81433410
2,2-dimethyl-3-[(3,4,5-trifluorobenzoyl)amino]propanoic acid
CID 81369137
3,4,5-trifluoro-N-(3,3,3-trifluoropropyl)aniline
CID 64555020

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-(3,3,3-trifluoropropyl)benzamide?
The IUPAC name of 3,4,5-trifluoro-N-(3,3,3-trifluoropropyl)benzamide (CID 55175919) is 3,4,5-trifluoro-N-(3,3,3-trifluoropropyl)benzamide.
What is the SMILES notation for 3,4,5-trifluoro-N-(3,3,3-trifluoropropyl)benzamide?
The canonical SMILES for 3,4,5-trifluoro-N-(3,3,3-trifluoropropyl)benzamide is O=C(NCCC(F)(F)F)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 3,4,5-trifluoro-N-(3,3,3-trifluoropropyl)benzamide?
The InChIKey is ABOSCCVRRKFSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6NO/c11-6-3-5(4-7(12)8(6)13)9(18)17-2-1-10(14,15)16/h3-4H,1-2H2,(H,17,18).
What are the key properties of 3,4,5-trifluoro-N-(3,3,3-trifluoropropyl)benzamide?
3,4,5-trifluoro-N-(3,3,3-trifluoropropyl)benzamide has a molecular weight of 271.16 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-N-(3,3,3-trifluoropropyl)benzamide is sourced from PubChem (CID 55175919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).