4-(4-butylcyclohexyl)-1-(2,2-difluoroethenyl)-2-fluorobenzene

C18H23F3 — CID 19842847

IUPAC4-(4-butylcyclohexyl)-1-(2,2-difluoroethenyl)-2-fluorobenzene
SMILESCCCCC1CCC(c2ccc(C=C(F)F)c(F)c2)CC1
InChIInChI=1S/C18H23F3/c1-2-3-4-13-5-7-14(8-6-13)15-9-10-16(12-18(20)21)17(19)11-15/h9-14H,2-8H2,1H3
InChIKeyBJXHDPZXHKQFCH-UHFFFAOYSA-N
MW296.38 g/mol
LogP6.53
Rot. Bonds5

About 4-(4-butylcyclohexyl)-1-(2,2-difluoroethenyl)-2-fluorobenzene

4-(4-butylcyclohexyl)-1-(2,2-difluoroethenyl)-2-fluorobenzene (PubChem CID 19842847) has the molecular formula C18H23F3 and a molecular weight of 296.38 g/mol. Its IUPAC name is 4-(4-butylcyclohexyl)-1-(2,2-difluoroethenyl)-2-fluorobenzene.

Molecular Properties

Compound Name4-(4-butylcyclohexyl)-1-(2,2-difluoroethenyl)-2-fluorobenzene
PubChem CID19842847
Molecular FormulaC18H23F3
Molecular Weight296.38 g/mol
Exact Mass296.18
IUPAC Name4-(4-butylcyclohexyl)-1-(2,2-difluoroethenyl)-2-fluorobenzene
SMILESCCCCC1CCC(c2ccc(C=C(F)F)c(F)c2)CC1
InChIInChI=1S/C18H23F3/c1-2-3-4-13-5-7-14(8-6-13)15-9-10-16(12-18(20)21)17(19)11-15/h9-14H,2-8H2,1H3
InChIKeyBJXHDPZXHKQFCH-UHFFFAOYSA-N
XLogP6.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.38
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-1-(2-fluoroethenyl)-4-(4-pentylcyclohexyl)benzene
CID 67859215
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
4-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-1,2-difluorobenzene
CID 139724444
4-[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 70499563
2-fluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]-1-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
CID 59247524
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 587774
1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)benzene
CID 19842787
1-[4-(4-butylcyclohexyl)-2-fluorophenyl]prop-2-en-1-one
CID 19101207
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

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylcyclohexyl)-1-(2,2-difluoroethenyl)-2-fluorobenzene?
The IUPAC name of 4-(4-butylcyclohexyl)-1-(2,2-difluoroethenyl)-2-fluorobenzene (CID 19842847) is 4-(4-butylcyclohexyl)-1-(2,2-difluoroethenyl)-2-fluorobenzene.
What is the SMILES notation for 4-(4-butylcyclohexyl)-1-(2,2-difluoroethenyl)-2-fluorobenzene?
The canonical SMILES for 4-(4-butylcyclohexyl)-1-(2,2-difluoroethenyl)-2-fluorobenzene is CCCCC1CCC(c2ccc(C=C(F)F)c(F)c2)CC1.
What is the InChIKey of 4-(4-butylcyclohexyl)-1-(2,2-difluoroethenyl)-2-fluorobenzene?
The InChIKey is BJXHDPZXHKQFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3/c1-2-3-4-13-5-7-14(8-6-13)15-9-10-16(12-18(20)21)17(19)11-15/h9-14H,2-8H2,1H3.
What are the key properties of 4-(4-butylcyclohexyl)-1-(2,2-difluoroethenyl)-2-fluorobenzene?
4-(4-butylcyclohexyl)-1-(2,2-difluoroethenyl)-2-fluorobenzene has a molecular weight of 296.38 g/mol, XLogP of 6.53, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylcyclohexyl)-1-(2,2-difluoroethenyl)-2-fluorobenzene is sourced from PubChem (CID 19842847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).