2-fluoro-1-iodo-4-(4-propylcyclohexyl)benzene

C15H20FI — CID 18681375

IUPAC2-fluoro-1-iodo-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(I)c(F)c2)CC1
InChIInChI=1S/C15H20FI/c1-2-3-11-4-6-12(7-5-11)13-8-9-15(17)14(16)10-13/h8-12H,2-7H2,1H3
InChIKeyGENVTRUAZLLBGY-UHFFFAOYSA-N
MW346.23 g/mol
LogP5.50
Rot. Bonds3

About 2-fluoro-1-iodo-4-(4-propylcyclohexyl)benzene

2-fluoro-1-iodo-4-(4-propylcyclohexyl)benzene (PubChem CID 18681375) has the molecular formula C15H20FI and a molecular weight of 346.23 g/mol. Its IUPAC name is 2-fluoro-1-iodo-4-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name2-fluoro-1-iodo-4-(4-propylcyclohexyl)benzene
PubChem CID18681375
Molecular FormulaC15H20FI
Molecular Weight346.23 g/mol
Exact Mass346.06
IUPAC Name2-fluoro-1-iodo-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(I)c(F)c2)CC1
InChIInChI=1S/C15H20FI/c1-2-3-11-4-6-12(7-5-11)13-8-9-15(17)14(16)10-13/h8-12H,2-7H2,1H3
InChIKeyGENVTRUAZLLBGY-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.23
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-1-iodo-4-(4-pentylcyclohexyl)benzene
CID 59592418
1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene
CID 20657061
1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 14693031
2-fluoro-1-(fluoromethoxy)-4-(4-propylcyclohexyl)benzene
CID 70841823
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 122642799
2-fluoro-1-[2-[2-[2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethoxy]ethyl]-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
CID 140976227
2-[difluoro(iodo)methyl]-1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
CID 20654197
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 587774
2,6-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]pyridine
CID 19765472
2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 118136052
1-dodecoxy-2-fluoro-4-(4-propylcyclohexyl)benzene
CID 57028175

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-iodo-4-(4-propylcyclohexyl)benzene?
The IUPAC name of 2-fluoro-1-iodo-4-(4-propylcyclohexyl)benzene (CID 18681375) is 2-fluoro-1-iodo-4-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 2-fluoro-1-iodo-4-(4-propylcyclohexyl)benzene?
The canonical SMILES for 2-fluoro-1-iodo-4-(4-propylcyclohexyl)benzene is CCCC1CCC(c2ccc(I)c(F)c2)CC1.
What is the InChIKey of 2-fluoro-1-iodo-4-(4-propylcyclohexyl)benzene?
The InChIKey is GENVTRUAZLLBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FI/c1-2-3-11-4-6-12(7-5-11)13-8-9-15(17)14(16)10-13/h8-12H,2-7H2,1H3.
What are the key properties of 2-fluoro-1-iodo-4-(4-propylcyclohexyl)benzene?
2-fluoro-1-iodo-4-(4-propylcyclohexyl)benzene has a molecular weight of 346.23 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-iodo-4-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 18681375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).