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

C18H26F2 — CID 18610847

IUPAC1-[2-(4-butylcyclohexyl)ethyl]-2,4-difluorobenzene
SMILESCCCCC1CCC(CCc2ccc(F)cc2F)CC1
InChIInChI=1S/C18H26F2/c1-2-3-4-14-5-7-15(8-6-14)9-10-16-11-12-17(19)13-18(16)20/h11-15H,2-10H2,1H3
InChIKeyFCSAMEGVEAYFBQ-UHFFFAOYSA-N
MW280.40 g/mol
LogP5.89
Rot. Bonds6

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

1-[2-(4-butylcyclohexyl)ethyl]-2,4-difluorobenzene (PubChem CID 18610847) has the molecular formula C18H26F2 and a molecular weight of 280.40 g/mol. Its IUPAC name is 1-[2-(4-butylcyclohexyl)ethyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[2-(4-butylcyclohexyl)ethyl]-2,4-difluorobenzene
PubChem CID18610847
Molecular FormulaC18H26F2
Molecular Weight280.40 g/mol
Exact Mass280.20
IUPAC Name1-[2-(4-butylcyclohexyl)ethyl]-2,4-difluorobenzene
SMILESCCCCC1CCC(CCc2ccc(F)cc2F)CC1
InChIInChI=1S/C18H26F2/c1-2-3-4-14-5-7-15(8-6-14)9-10-16-11-12-17(19)13-18(16)20/h11-15H,2-10H2,1H3
InChIKeyFCSAMEGVEAYFBQ-UHFFFAOYSA-N
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.40
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[2-(4-ethylcyclohexyl)ethyl]-2,4-difluorobenzene
CID 18610850
1-[2-(4-butylcyclohexyl)ethyl]-2-fluoro-4-(4-pentylcyclohexyl)benzene
CID 151118994
2,4-difluoro-1-pentylbenzene
CID 20770613
1-[[1-(bromomethyl)-4-butylcyclohexyl]methyl]-2,4-difluorobenzene
CID 66050829
2-fluoro-4-isothiocyanato-1-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 101210633
4-[3-(2,4-difluorophenyl)propyl]piperidine
CID 21180653
1-[(4-butylcyclohexyl)methoxy]-2,4-difluorobenzene
CID 67806514
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
4-[3-(2,4-difluorophenyl)propyl]piperidine;hydrochloride
CID 21180652
2-fluoro-1-[2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene
CID 139608148
3-[2-(4-butylcyclohexyl)ethyl]-6-(3-fluoro-4-pentylphenyl)pyridazine
CID 139778699
2-[2-(4-butyl-2-fluorophenyl)ethyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139849003

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-butylcyclohexyl)ethyl]-2,4-difluorobenzene?
The IUPAC name of 1-[2-(4-butylcyclohexyl)ethyl]-2,4-difluorobenzene (CID 18610847) is 1-[2-(4-butylcyclohexyl)ethyl]-2,4-difluorobenzene.
What is the SMILES notation for 1-[2-(4-butylcyclohexyl)ethyl]-2,4-difluorobenzene?
The canonical SMILES for 1-[2-(4-butylcyclohexyl)ethyl]-2,4-difluorobenzene is CCCCC1CCC(CCc2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[2-(4-butylcyclohexyl)ethyl]-2,4-difluorobenzene?
The InChIKey is FCSAMEGVEAYFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2/c1-2-3-4-14-5-7-15(8-6-14)9-10-16-11-12-17(19)13-18(16)20/h11-15H,2-10H2,1H3.
What are the key properties of 1-[2-(4-butylcyclohexyl)ethyl]-2,4-difluorobenzene?
1-[2-(4-butylcyclohexyl)ethyl]-2,4-difluorobenzene has a molecular weight of 280.40 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-butylcyclohexyl)ethyl]-2,4-difluorobenzene is sourced from PubChem (CID 18610847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).