4-cyclopropyl-2-iodo-1-(trifluoromethyl)benzene

C10H8F3I — CID 130067640

IUPAC4-cyclopropyl-2-iodo-1-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(C2CC2)cc1I
InChIInChI=1S/C10H8F3I/c11-10(12,13)8-4-3-7(5-9(8)14)6-1-2-6/h3-6H,1-2H2
InChIKeyFSEQSUNTDHKQPI-UHFFFAOYSA-N
MW312.07 g/mol
LogP4.19
Rot. Bonds1

About 4-cyclopropyl-2-iodo-1-(trifluoromethyl)benzene

4-cyclopropyl-2-iodo-1-(trifluoromethyl)benzene (PubChem CID 130067640) has the molecular formula C10H8F3I and a molecular weight of 312.07 g/mol. Its IUPAC name is 4-cyclopropyl-2-iodo-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-cyclopropyl-2-iodo-1-(trifluoromethyl)benzene
PubChem CID130067640
Molecular FormulaC10H8F3I
Molecular Weight312.07 g/mol
Exact Mass311.96
IUPAC Name4-cyclopropyl-2-iodo-1-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(C2CC2)cc1I
InChIInChI=1S/C10H8F3I/c11-10(12,13)8-4-3-7(5-9(8)14)6-1-2-6/h3-6H,1-2H2
InChIKeyFSEQSUNTDHKQPI-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.07
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-iodo-1-(trifluoromethyl)benzene?
The IUPAC name of 4-cyclopropyl-2-iodo-1-(trifluoromethyl)benzene (CID 130067640) is 4-cyclopropyl-2-iodo-1-(trifluoromethyl)benzene.
What is the SMILES notation for 4-cyclopropyl-2-iodo-1-(trifluoromethyl)benzene?
The canonical SMILES for 4-cyclopropyl-2-iodo-1-(trifluoromethyl)benzene is FC(F)(F)c1ccc(C2CC2)cc1I.
What is the InChIKey of 4-cyclopropyl-2-iodo-1-(trifluoromethyl)benzene?
The InChIKey is FSEQSUNTDHKQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3I/c11-10(12,13)8-4-3-7(5-9(8)14)6-1-2-6/h3-6H,1-2H2.
What are the key properties of 4-cyclopropyl-2-iodo-1-(trifluoromethyl)benzene?
4-cyclopropyl-2-iodo-1-(trifluoromethyl)benzene has a molecular weight of 312.07 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-iodo-1-(trifluoromethyl)benzene is sourced from PubChem (CID 130067640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).