4-(4-butylcyclohexyl)-1,2-difluorobenzene

C16H22F2 — CID 20677031

IUPAC4-(4-butylcyclohexyl)-1,2-difluorobenzene
SMILESCCCCC1CCC(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H22F2/c1-2-3-4-12-5-7-13(8-6-12)14-9-10-15(17)16(18)11-14/h9-13H,2-8H2,1H3
InChIKeyIEEVLKALVRLKTF-UHFFFAOYSA-N
MW252.35 g/mol
LogP5.43
Rot. Bonds4

About 4-(4-butylcyclohexyl)-1,2-difluorobenzene

4-(4-butylcyclohexyl)-1,2-difluorobenzene (PubChem CID 20677031) has the molecular formula C16H22F2 and a molecular weight of 252.35 g/mol. Its IUPAC name is 4-(4-butylcyclohexyl)-1,2-difluorobenzene.

Molecular Properties

Compound Name4-(4-butylcyclohexyl)-1,2-difluorobenzene
PubChem CID20677031
Molecular FormulaC16H22F2
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name4-(4-butylcyclohexyl)-1,2-difluorobenzene
SMILESCCCCC1CCC(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H22F2/c1-2-3-4-12-5-7-13(8-6-12)14-9-10-15(17)16(18)11-14/h9-13H,2-8H2,1H3
InChIKeyIEEVLKALVRLKTF-UHFFFAOYSA-N
XLogP5.43
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 ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-1,2-difluorobenzene
CID 139724444
4-[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 70499563
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 587774
1,2-difluoro-4-[4-[2-(4-heptylcyclohexyl)ethenyl]cyclohexyl]benzene
CID 54184964
1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene
CID 20657061
1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene
CID 10882919
1-butoxy-4-(4-butylcyclohexyl)-2-fluorobenzene
CID 57074379
1-[2-(4-butylcyclohexyl)ethyl]-2-fluoro-4-(4-pentylcyclohexyl)benzene
CID 151118994
2-fluoro-1-iodo-4-(4-pentylcyclohexyl)benzene
CID 59592418
1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-3,5-difluorobenzene
CID 139710939
1-[4-(4-butylcyclohexyl)phenyl]-2,4,5-trifluorobenzene
CID 67805684
4-(4-butylcyclohexyl)-1-(2,2-difluoroethenyl)-2-fluorobenzene
CID 19842847

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylcyclohexyl)-1,2-difluorobenzene?
The IUPAC name of 4-(4-butylcyclohexyl)-1,2-difluorobenzene (CID 20677031) is 4-(4-butylcyclohexyl)-1,2-difluorobenzene.
What is the SMILES notation for 4-(4-butylcyclohexyl)-1,2-difluorobenzene?
The canonical SMILES for 4-(4-butylcyclohexyl)-1,2-difluorobenzene is CCCCC1CCC(c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 4-(4-butylcyclohexyl)-1,2-difluorobenzene?
The InChIKey is IEEVLKALVRLKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2/c1-2-3-4-12-5-7-13(8-6-12)14-9-10-15(17)16(18)11-14/h9-13H,2-8H2,1H3.
What are the key properties of 4-(4-butylcyclohexyl)-1,2-difluorobenzene?
4-(4-butylcyclohexyl)-1,2-difluorobenzene has a molecular weight of 252.35 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylcyclohexyl)-1,2-difluorobenzene is sourced from PubChem (CID 20677031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).