2-chloro-4-(1,2-diethylcyclopropyl)-1-fluorocyclohexane

C13H22ClF — CID 89380518

IUPAC2-chloro-4-(1,2-diethylcyclopropyl)-1-fluorocyclohexane
SMILESCCC1CC1(CC)C1CCC(F)C(Cl)C1
InChIInChI=1S/C13H22ClF/c1-3-9-8-13(9,4-2)10-5-6-12(15)11(14)7-10/h9-12H,3-8H2,1-2H3
InChIKeyXXGBZSXFNOZKTN-UHFFFAOYSA-N
MW232.77 g/mol
LogP4.56
Rot. Bonds3

About 2-chloro-4-(1,2-diethylcyclopropyl)-1-fluorocyclohexane

2-chloro-4-(1,2-diethylcyclopropyl)-1-fluorocyclohexane (PubChem CID 89380518) has the molecular formula C13H22ClF and a molecular weight of 232.77 g/mol. Its IUPAC name is 2-chloro-4-(1,2-diethylcyclopropyl)-1-fluorocyclohexane.

Molecular Properties

Compound Name2-chloro-4-(1,2-diethylcyclopropyl)-1-fluorocyclohexane
PubChem CID89380518
Molecular FormulaC13H22ClF
Molecular Weight232.77 g/mol
Exact Mass232.14
IUPAC Name2-chloro-4-(1,2-diethylcyclopropyl)-1-fluorocyclohexane
SMILESCCC1CC1(CC)C1CCC(F)C(Cl)C1
InChIInChI=1S/C13H22ClF/c1-3-9-8-13(9,4-2)10-5-6-12(15)11(14)7-10/h9-12H,3-8H2,1-2H3
InChIKeyXXGBZSXFNOZKTN-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.77
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-1-fluoro-1-methyl-4-propan-2-ylcyclohexane
CID 20541616
1-chloro-4-[1-[(4R)-7-fluoro-2,4,7-trimethyloctyl]cyclopropyl]cyclohexane
CID 89729236
1-chloro-4-[1-[(2R,4R)-7-fluoro-2,4,7-trimethyloctyl]cyclopropyl]cyclohexane
CID 89729301
2-(2-Chloroethyl)-1-ethyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121274152
[4-Chloro-3-[dichloro(fluoro)methyl]-2,5-dimethylheptan-3-yl]cyclopropane
CID 141387448
4-Tert-butyl-2-chloro-1-fluorocyclohexane
CID 155383401
1-Tert-butyl-4-chloro-2-fluorocyclohexane
CID 164775274
1-Tert-butyl-4-chloro-2,3-difluorocyclohexane
CID 166561447
1-Tert-butyl-2-chloro-4-fluorocyclohexane
CID 166561482
1-Tert-butyl-4-chloro-2,5-difluorocyclohexane
CID 166561588
5-Tert-butyl-2-chloro-1,3-difluorocyclohexane
CID 166561589
5-Chloro-1-cyclopropyl-2-fluoro-1-methylcyclohexane
CID 167228656

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1,2-diethylcyclopropyl)-1-fluorocyclohexane?
The IUPAC name of 2-chloro-4-(1,2-diethylcyclopropyl)-1-fluorocyclohexane (CID 89380518) is 2-chloro-4-(1,2-diethylcyclopropyl)-1-fluorocyclohexane.
What is the SMILES notation for 2-chloro-4-(1,2-diethylcyclopropyl)-1-fluorocyclohexane?
The canonical SMILES for 2-chloro-4-(1,2-diethylcyclopropyl)-1-fluorocyclohexane is CCC1CC1(CC)C1CCC(F)C(Cl)C1.
What is the InChIKey of 2-chloro-4-(1,2-diethylcyclopropyl)-1-fluorocyclohexane?
The InChIKey is XXGBZSXFNOZKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClF/c1-3-9-8-13(9,4-2)10-5-6-12(15)11(14)7-10/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-chloro-4-(1,2-diethylcyclopropyl)-1-fluorocyclohexane?
2-chloro-4-(1,2-diethylcyclopropyl)-1-fluorocyclohexane has a molecular weight of 232.77 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1,2-diethylcyclopropyl)-1-fluorocyclohexane is sourced from PubChem (CID 89380518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).