3-[3-fluoro-4-(trifluoromethyl)phenyl]propanamide

C10H9F4NO — CID 69353641

IUPAC3-[3-fluoro-4-(trifluoromethyl)phenyl]propanamide
SMILESNC(=O)CCc1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C10H9F4NO/c11-8-5-6(2-4-9(15)16)1-3-7(8)10(12,13)14/h1,3,5H,2,4H2,(H2,15,16)
InChIKeyAQGOLHGMHJLKDT-UHFFFAOYSA-N
MW235.18 g/mol
LogP2.26
Rot. Bonds3

About 3-[3-fluoro-4-(trifluoromethyl)phenyl]propanamide

3-[3-fluoro-4-(trifluoromethyl)phenyl]propanamide (PubChem CID 69353641) has the molecular formula C10H9F4NO and a molecular weight of 235.18 g/mol. Its IUPAC name is 3-[3-fluoro-4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[3-fluoro-4-(trifluoromethyl)phenyl]propanamide
PubChem CID69353641
Molecular FormulaC10H9F4NO
Molecular Weight235.18 g/mol
Exact Mass235.06
IUPAC Name3-[3-fluoro-4-(trifluoromethyl)phenyl]propanamide
SMILESNC(=O)CCc1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C10H9F4NO/c11-8-5-6(2-4-9(15)16)1-3-7(8)10(12,13)14/h1,3,5H,2,4H2,(H2,15,16)
InChIKeyAQGOLHGMHJLKDT-UHFFFAOYSA-N
XLogP2.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.18
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(3-amino-3-oxopropyl)phenyl]propanamide
CID 102388205
3-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]propanamide
CID 63320724
2-[3,4-bis(trifluoromethyl)phenyl]acetamide
CID 87509957
1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylpentan-3-ol
CID 107290287
4-[3-fluoro-4-(trifluoromethyl)phenyl]but-3-enamide
CID 170798409
3-[4-(4-fluorophenyl)phenyl]propanamide
CID 150390429
(2S)-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]aziridine
CID 162550184
3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 173469715
bis[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 140930579
3-(7-fluorodibenzofuran-3-yl)propanamide
CID 167103518
3-[3-fluoro-4-(trifluoromethyl)phenyl]-N-propylpropan-1-amine
CID 107290177
ethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 142344458

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[3-fluoro-4-(trifluoromethyl)phenyl]propanamide (CID 69353641) is 3-[3-fluoro-4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[3-fluoro-4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[3-fluoro-4-(trifluoromethyl)phenyl]propanamide is NC(=O)CCc1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 3-[3-fluoro-4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is AQGOLHGMHJLKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO/c11-8-5-6(2-4-9(15)16)1-3-7(8)10(12,13)14/h1,3,5H,2,4H2,(H2,15,16).
What are the key properties of 3-[3-fluoro-4-(trifluoromethyl)phenyl]propanamide?
3-[3-fluoro-4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 235.18 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 69353641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).