CID 162603813

C7H4ClF3I- — CID 162603813

IUPAC—
SMILESFC(F)(F)c1cc([IH-])ccc1Cl
InChIInChI=1S/C7H3ClF3I/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H/q-1
InChIKeyYCYIXDBMEFTEBZ-UHFFFAOYSA-N
MW307.46 g/mol
LogP-0.19
Rot. Bonds

About CID 162603813

CID 162603813 (PubChem CID 162603813) has the molecular formula C7H4ClF3I- and a molecular weight of 307.46 g/mol.

Molecular Properties

Compound NameCID 162603813
PubChem CID162603813
Molecular FormulaC7H4ClF3I-
Molecular Weight307.46 g/mol
Exact Mass306.90
IUPAC Name—
SMILESFC(F)(F)c1cc([IH-])ccc1Cl
InChIInChI=1S/C7H3ClF3I/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H/q-1
InChIKeyYCYIXDBMEFTEBZ-UHFFFAOYSA-N
XLogP-0.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 162603813 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

1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene
CID 118805005
1-[4-chloro-3-(trifluoromethyl)phenyl]aziridine
CID 134445527
1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole
CID 4715179
1,3-bis[4-chloro-3-(trifluoromethyl)phenyl]thiourea
CID 4763346
[4-chloro-3-(trifluoromethyl)phenyl]methanol
CID 2778111
1-chloro-4-(iodomethyl)-2-(trifluoromethyl)benzene
CID 89363824
N-[4-chloro-3-(trifluoromethyl)phenyl]hydroxylamine;hydrochloride
CID 23155082
1-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)benzene
CID 59627189
4-[4-chloro-3-(trifluoromethyl)phenyl]pyridine
CID 620912
1-[4-chloro-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone
CID 124526986
1-chloro-2-(trifluoromethyl)benzene
CID 161495124
1-chloro-2-(trifluoromethyl)benzene
CID 6921

Frequently Asked Questions

What is the IUPAC name of CID 162603813?
The IUPAC name of CID 162603813 (CID 162603813) is not available.
What is the SMILES notation for CID 162603813?
The canonical SMILES for CID 162603813 is FC(F)(F)c1cc([IH-])ccc1Cl.
What is the InChIKey of CID 162603813?
The InChIKey is YCYIXDBMEFTEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3I/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H/q-1.
What are the key properties of CID 162603813?
CID 162603813 has a molecular weight of 307.46 g/mol, XLogP of -0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162603813 is sourced from PubChem (CID 162603813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).