1-[2-(4-ethylcyclohexyl)ethyl]-2,4-difluorobenzene

C16H22F2 — CID 18610850

IUPAC1-[2-(4-ethylcyclohexyl)ethyl]-2,4-difluorobenzene
SMILESCCC1CCC(CCc2ccc(F)cc2F)CC1
InChIInChI=1S/C16H22F2/c1-2-12-3-5-13(6-4-12)7-8-14-9-10-15(17)11-16(14)18/h9-13H,2-8H2,1H3
InChIKeyVHEKSPHCDNXVHO-UHFFFAOYSA-N
MW252.35 g/mol
LogP5.11
Rot. Bonds4

About 1-[2-(4-ethylcyclohexyl)ethyl]-2,4-difluorobenzene

1-[2-(4-ethylcyclohexyl)ethyl]-2,4-difluorobenzene (PubChem CID 18610850) has the molecular formula C16H22F2 and a molecular weight of 252.35 g/mol. Its IUPAC name is 1-[2-(4-ethylcyclohexyl)ethyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[2-(4-ethylcyclohexyl)ethyl]-2,4-difluorobenzene
PubChem CID18610850
Molecular FormulaC16H22F2
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name1-[2-(4-ethylcyclohexyl)ethyl]-2,4-difluorobenzene
SMILESCCC1CCC(CCc2ccc(F)cc2F)CC1
InChIInChI=1S/C16H22F2/c1-2-12-3-5-13(6-4-12)7-8-14-9-10-15(17)11-16(14)18/h9-13H,2-8H2,1H3
InChIKeyVHEKSPHCDNXVHO-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.35
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[2-(4-butylcyclohexyl)ethyl]-2,4-difluorobenzene
CID 18610847
1-[2-(4-ethylcyclohexyl)ethyl]-2-fluoro-4-[2-(4-propylphenyl)ethyl]benzene
CID 172817862
ethylcyclopropane;1,2,4-trifluorobenzene
CID 157032368
4-[3-(2,4-difluorophenyl)propyl]piperidine
CID 21180653
3-[2-(4-ethylcyclohexyl)ethyl]-2,5,6-trifluoropyridine
CID 23190792
4-[3-(2,4-difluorophenyl)propyl]piperidine;hydrochloride
CID 21180652
2-fluoro-1-[2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene
CID 139608148
1-[(2,4-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 62197513
4-[2-(4-butylcyclohexyl)ethyl]-3-fluorobenzonitrile;4-[2-(4-ethylcyclohexyl)ethyl]-3-fluorobenzonitrile;3-fluoro-4-[2-(4-pentylcyclohexyl)ethyl]benzonitrile;3-fluoro-4-[2-(4-propylcyclohexyl)ethyl]benzonitrile
CID 173399906
2,4-difluoro-1-pentylbenzene
CID 20770613
1-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-2,3-difluoro-4-pentylbenzene
CID 135193369
3-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-2,6-difluoropyridine
CID 19765404

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylcyclohexyl)ethyl]-2,4-difluorobenzene?
The IUPAC name of 1-[2-(4-ethylcyclohexyl)ethyl]-2,4-difluorobenzene (CID 18610850) is 1-[2-(4-ethylcyclohexyl)ethyl]-2,4-difluorobenzene.
What is the SMILES notation for 1-[2-(4-ethylcyclohexyl)ethyl]-2,4-difluorobenzene?
The canonical SMILES for 1-[2-(4-ethylcyclohexyl)ethyl]-2,4-difluorobenzene is CCC1CCC(CCc2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[2-(4-ethylcyclohexyl)ethyl]-2,4-difluorobenzene?
The InChIKey is VHEKSPHCDNXVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2/c1-2-12-3-5-13(6-4-12)7-8-14-9-10-15(17)11-16(14)18/h9-13H,2-8H2,1H3.
What are the key properties of 1-[2-(4-ethylcyclohexyl)ethyl]-2,4-difluorobenzene?
1-[2-(4-ethylcyclohexyl)ethyl]-2,4-difluorobenzene has a molecular weight of 252.35 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylcyclohexyl)ethyl]-2,4-difluorobenzene is sourced from PubChem (CID 18610850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).