3-[3,5-bis(trifluoromethyl)phenyl]-1-(5-fluoro-1H-indol-2-yl)propan-1-one

C19H12F7NO — CID 58125888

IUPAC3-[3,5-bis(trifluoromethyl)phenyl]-1-(5-fluoro-1H-indol-2-yl)propan-1-one
SMILESO=C(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C19H12F7NO/c20-14-2-3-15-11(7-14)8-16(27-15)17(28)4-1-10-5-12(18(21,22)23)9-13(6-10)19(24,25)26/h2-3,5-9,27H,1,4H2
InChIKeyKPOZBCCWZKSCNL-UHFFFAOYSA-N
MW403.30 g/mol
LogP6.16
Rot. Bonds4

About 3-[3,5-bis(trifluoromethyl)phenyl]-1-(5-fluoro-1H-indol-2-yl)propan-1-one

3-[3,5-bis(trifluoromethyl)phenyl]-1-(5-fluoro-1H-indol-2-yl)propan-1-one (PubChem CID 58125888) has the molecular formula C19H12F7NO and a molecular weight of 403.30 g/mol. Its IUPAC name is 3-[3,5-bis(trifluoromethyl)phenyl]-1-(5-fluoro-1H-indol-2-yl)propan-1-one.

Molecular Properties

Compound Name3-[3,5-bis(trifluoromethyl)phenyl]-1-(5-fluoro-1H-indol-2-yl)propan-1-one
PubChem CID58125888
Molecular FormulaC19H12F7NO
Molecular Weight403.30 g/mol
Exact Mass403.08
IUPAC Name3-[3,5-bis(trifluoromethyl)phenyl]-1-(5-fluoro-1H-indol-2-yl)propan-1-one
SMILESO=C(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C19H12F7NO/c20-14-2-3-15-11(7-14)8-16(27-15)17(28)4-1-10-5-12(18(21,22)23)9-13(6-10)19(24,25)26/h2-3,5-9,27H,1,4H2
InChIKeyKPOZBCCWZKSCNL-UHFFFAOYSA-N
XLogP6.16
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.30
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[3,5-bis(trifluoromethyl)phenyl]-1-(5-fluoro-1H-indol-2-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-chlorophenyl)-1-(5-fluoro-1H-indol-2-yl)propan-1-one
CID 58125929
1-(5-fluoro-1H-indol-2-yl)-2-hydroxyethanone
CID 146281441
2-chloro-1-(5-fluoro-1H-indol-2-yl)ethanone
CID 45081081
3-(5-fluoro-1H-indol-2-yl)-3-oxopropanoic acid
CID 170886871
3-cyclohexyl-1-(5-fluoro-1H-indol-2-yl)propan-1-one
CID 58125958
1-(5-fluoro-1H-indol-2-yl)-4-hydroxy-4-phenylbutan-1-one
CID 58125913
1-(5-fluoro-1H-indol-2-yl)-2-(methylamino)ethanone
CID 82396041
5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
CID 21014440
(3S)-1-(5-fluoro-1H-indol-2-yl)-3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]butan-1-one
CID 158457756
3-[(5-fluoro-1H-indole-2-carbonyl)-methylamino]propanoic acid
CID 110834896
N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride
CID 44666094
5-fluoro-N-[4-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide
CID 21014433

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-1-(5-fluoro-1H-indol-2-yl)propan-1-one?
The IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-1-(5-fluoro-1H-indol-2-yl)propan-1-one (CID 58125888) is 3-[3,5-bis(trifluoromethyl)phenyl]-1-(5-fluoro-1H-indol-2-yl)propan-1-one.
What is the SMILES notation for 3-[3,5-bis(trifluoromethyl)phenyl]-1-(5-fluoro-1H-indol-2-yl)propan-1-one?
The canonical SMILES for 3-[3,5-bis(trifluoromethyl)phenyl]-1-(5-fluoro-1H-indol-2-yl)propan-1-one is O=C(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 3-[3,5-bis(trifluoromethyl)phenyl]-1-(5-fluoro-1H-indol-2-yl)propan-1-one?
The InChIKey is KPOZBCCWZKSCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F7NO/c20-14-2-3-15-11(7-14)8-16(27-15)17(28)4-1-10-5-12(18(21,22)23)9-13(6-10)19(24,25)26/h2-3,5-9,27H,1,4H2.
What are the key properties of 3-[3,5-bis(trifluoromethyl)phenyl]-1-(5-fluoro-1H-indol-2-yl)propan-1-one?
3-[3,5-bis(trifluoromethyl)phenyl]-1-(5-fluoro-1H-indol-2-yl)propan-1-one has a molecular weight of 403.30 g/mol, XLogP of 6.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(trifluoromethyl)phenyl]-1-(5-fluoro-1H-indol-2-yl)propan-1-one is sourced from PubChem (CID 58125888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).