1-fluoro-3-[4-(4-fluorobutyl)cyclohexyl]benzene

C16H22F2 — CID 20663504

IUPAC1-fluoro-3-[4-(4-fluorobutyl)cyclohexyl]benzene
SMILESFCCCCC1CCC(c2cccc(F)c2)CC1
InChIInChI=1S/C16H22F2/c17-11-2-1-4-13-7-9-14(10-8-13)15-5-3-6-16(18)12-15/h3,5-6,12-14H,1-2,4,7-11H2
InChIKeyFSCWISAWUICUKC-UHFFFAOYSA-N
MW252.35 g/mol
LogP5.24
Rot. Bonds5

About 1-fluoro-3-[4-(4-fluorobutyl)cyclohexyl]benzene

1-fluoro-3-[4-(4-fluorobutyl)cyclohexyl]benzene (PubChem CID 20663504) has the molecular formula C16H22F2 and a molecular weight of 252.35 g/mol. Its IUPAC name is 1-fluoro-3-[4-(4-fluorobutyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-fluoro-3-[4-(4-fluorobutyl)cyclohexyl]benzene
PubChem CID20663504
Molecular FormulaC16H22F2
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name1-fluoro-3-[4-(4-fluorobutyl)cyclohexyl]benzene
SMILESFCCCCC1CCC(c2cccc(F)c2)CC1
InChIInChI=1S/C16H22F2/c17-11-2-1-4-13-7-9-14(10-8-13)15-5-3-6-16(18)12-15/h3,5-6,12-14H,1-2,4,7-11H2
InChIKeyFSCWISAWUICUKC-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.35
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[3-(4-butylcyclohexyl)propyl]cyclohexyl]-3-fluorobenzene
CID 139725252
1,3-difluoro-5-[4-(7-fluoroheptyl)cyclohexyl]benzene
CID 20663479
2-fluoro-4-[4-(6-fluorohexyl)cyclohexyl]-1-methylbenzene
CID 20663566
1,3-difluoro-5-[4-(6-fluorohexyl)cyclohexyl]-2-methylbenzene
CID 20663462
2-fluoro-1-[2-fluoro-4-[4-(5-fluoropentyl)cyclohexyl]phenyl]-4-(4-pentylcyclohexyl)benzene
CID 21265293
1-(3-fluorophenyl)-4-(4-pentylcyclohexyl)-2-phenylbenzene
CID 18647585
1,3-difluorobenzene;1-[4-(2-fluoroethyl)cyclohexyl]-4-propylbenzene
CID 160914684
4-(3-fluorophenyl)-N-methylcyclohexan-1-amine
CID 82283505
2-fluoro-1-[4-(10-fluorodecyl)cyclohexyl]-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene
CID 21265179
(4aR,6R,8aR)-2-ethyl-6-(3-fluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809252
1-[4-(4-bromobutyl)cyclohexyl]-4-fluorobenzene
CID 22913701
1-[4-(4-fluorobutyl)cyclohexyl]-4-[2-[4-(4-hexylcyclohexyl)phenyl]ethyl]benzene
CID 21265220

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[4-(4-fluorobutyl)cyclohexyl]benzene?
The IUPAC name of 1-fluoro-3-[4-(4-fluorobutyl)cyclohexyl]benzene (CID 20663504) is 1-fluoro-3-[4-(4-fluorobutyl)cyclohexyl]benzene.
What is the SMILES notation for 1-fluoro-3-[4-(4-fluorobutyl)cyclohexyl]benzene?
The canonical SMILES for 1-fluoro-3-[4-(4-fluorobutyl)cyclohexyl]benzene is FCCCCC1CCC(c2cccc(F)c2)CC1.
What is the InChIKey of 1-fluoro-3-[4-(4-fluorobutyl)cyclohexyl]benzene?
The InChIKey is FSCWISAWUICUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2/c17-11-2-1-4-13-7-9-14(10-8-13)15-5-3-6-16(18)12-15/h3,5-6,12-14H,1-2,4,7-11H2.
What are the key properties of 1-fluoro-3-[4-(4-fluorobutyl)cyclohexyl]benzene?
1-fluoro-3-[4-(4-fluorobutyl)cyclohexyl]benzene has a molecular weight of 252.35 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[4-(4-fluorobutyl)cyclohexyl]benzene is sourced from PubChem (CID 20663504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).