N-(4-fluorophenyl)-2-(trifluoromethylsulfanyl)propanamide

C10H9F4NOS — CID 169302914

IUPACN-(4-fluorophenyl)-2-(trifluoromethylsulfanyl)propanamide
SMILESCC(SC(F)(F)F)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C10H9F4NOS/c1-6(17-10(12,13)14)9(16)15-8-4-2-7(11)3-5-8/h2-6H,1H3,(H,15,16)
InChIKeyQNAMHAOUXYEQNG-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.41
Rot. Bonds3

About N-(4-fluorophenyl)-2-(trifluoromethylsulfanyl)propanamide

N-(4-fluorophenyl)-2-(trifluoromethylsulfanyl)propanamide (PubChem CID 169302914) has the molecular formula C10H9F4NOS and a molecular weight of 267.25 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(trifluoromethylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(trifluoromethylsulfanyl)propanamide
PubChem CID169302914
Molecular FormulaC10H9F4NOS
Molecular Weight267.25 g/mol
Exact Mass267.03
IUPAC NameN-(4-fluorophenyl)-2-(trifluoromethylsulfanyl)propanamide
SMILESCC(SC(F)(F)F)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C10H9F4NOS/c1-6(17-10(12,13)14)9(16)15-8-4-2-7(11)3-5-8/h2-6H,1H3,(H,15,16)
InChIKeyQNAMHAOUXYEQNG-UHFFFAOYSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-2-(trifluoromethylsulfanyl)propanamide
CID 42959299
2-amino-N-(4-fluorophenyl)propanamide;hydrochloride
CID 56832255
2-chloro-N-(4-fluorophenyl)propanamide
CID 532266
3-[1-(4-fluoroanilino)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 82180495
(2S)-N-(4-bromophenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 7553826
(2S)-N-(4-fluorophenyl)-2-methylbutanamide
CID 838022
3-(4-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 67508161
(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(4-fluorophenyl)propanamide
CID 7397770
(2S)-N-(4-tert-butylphenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 8779811
2-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]sulfanylbenzoic acid
CID 25489399
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[4-(propanoylamino)phenyl]propanamide
CID 55787973
(2S)-N-(4-bromophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 7730383

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(trifluoromethylsulfanyl)propanamide?
The IUPAC name of N-(4-fluorophenyl)-2-(trifluoromethylsulfanyl)propanamide (CID 169302914) is N-(4-fluorophenyl)-2-(trifluoromethylsulfanyl)propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(trifluoromethylsulfanyl)propanamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(trifluoromethylsulfanyl)propanamide is CC(SC(F)(F)F)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(trifluoromethylsulfanyl)propanamide?
The InChIKey is QNAMHAOUXYEQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NOS/c1-6(17-10(12,13)14)9(16)15-8-4-2-7(11)3-5-8/h2-6H,1H3,(H,15,16).
What are the key properties of N-(4-fluorophenyl)-2-(trifluoromethylsulfanyl)propanamide?
N-(4-fluorophenyl)-2-(trifluoromethylsulfanyl)propanamide has a molecular weight of 267.25 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(trifluoromethylsulfanyl)propanamide is sourced from PubChem (CID 169302914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).