formic acid;(3-methylindol-1-yl)-[4-(trifluoromethoxy)phenyl]methanone

C18H14F3NO4 — CID 143113823

IUPACformic acid;(3-methylindol-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
SMILESCc1cn(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc12.O=CO
InChIInChI=1S/C17H12F3NO2.CH2O2/c1-11-10-21(15-5-3-2-4-14(11)15)16(22)12-6-8-13(9-7-12)23-17(18,19)20;2-1-3/h2-10H,1H3;1H,(H,2,3)
InChIKeyDCPJOKQKDGBSRO-UHFFFAOYSA-N
MW365.31 g/mol
LogP4.24
Rot. Bonds2

About formic acid;(3-methylindol-1-yl)-[4-(trifluoromethoxy)phenyl]methanone

formic acid;(3-methylindol-1-yl)-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 143113823) has the molecular formula C18H14F3NO4 and a molecular weight of 365.31 g/mol. Its IUPAC name is formic acid;(3-methylindol-1-yl)-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Nameformic acid;(3-methylindol-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
PubChem CID143113823
Molecular FormulaC18H14F3NO4
Molecular Weight365.31 g/mol
Exact Mass365.09
IUPAC Nameformic acid;(3-methylindol-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
SMILESCc1cn(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc12.O=CO
InChIInChI=1S/C17H12F3NO2.CH2O2/c1-11-10-21(15-5-3-2-4-14(11)15)16(22)12-6-8-13(9-7-12)23-17(18,19)20;2-1-3/h2-10H,1H3;1H,(H,2,3)
InChIKeyDCPJOKQKDGBSRO-UHFFFAOYSA-N
XLogP4.24
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-methylindol-1-yl)-(2-methylphenyl)methanone
CID 101389123
methyl 1-(4-methoxybenzoyl)indole-3-carboxylate
CID 704184
[4-(2-methylphenyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 40676851
2-[1-(4-methoxybenzoyl)indol-3-yl]furan-3-carbaldehyde
CID 141107005
CID 59303798
CID 59303798
1-(4-ethoxybenzoyl)indole-3-carbonitrile
CID 91689445
1-(4-methylbenzoyl)indole-3-carbonitrile
CID 14978069
2-[1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetic acid
CID 162537823
methyl 1-(4-iodobenzoyl)indole-3-carboxylate
CID 1154177
3-(2-ethylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide
CID 59804527
3-(2-acetylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide
CID 25109396
4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899

Frequently Asked Questions

What is the IUPAC name of formic acid;(3-methylindol-1-yl)-[4-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of formic acid;(3-methylindol-1-yl)-[4-(trifluoromethoxy)phenyl]methanone (CID 143113823) is formic acid;(3-methylindol-1-yl)-[4-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for formic acid;(3-methylindol-1-yl)-[4-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for formic acid;(3-methylindol-1-yl)-[4-(trifluoromethoxy)phenyl]methanone is Cc1cn(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc12.O=CO.
What is the InChIKey of formic acid;(3-methylindol-1-yl)-[4-(trifluoromethoxy)phenyl]methanone?
The InChIKey is DCPJOKQKDGBSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO2.CH2O2/c1-11-10-21(15-5-3-2-4-14(11)15)16(22)12-6-8-13(9-7-12)23-17(18,19)20;2-1-3/h2-10H,1H3;1H,(H,2,3).
What are the key properties of formic acid;(3-methylindol-1-yl)-[4-(trifluoromethoxy)phenyl]methanone?
formic acid;(3-methylindol-1-yl)-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 365.31 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;(3-methylindol-1-yl)-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 143113823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).