1-cyclohexyl-4-(1,1,2,2-tetrafluoroethyl)benzene

C14H16F4 — CID 23236608

IUPAC1-cyclohexyl-4-(1,1,2,2-tetrafluoroethyl)benzene
SMILESFC(F)C(F)(F)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C14H16F4/c15-13(16)14(17,18)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10,13H,1-5H2
InChIKeySURVAIGBBIYAHJ-UHFFFAOYSA-N
MW260.27 g/mol
LogP5.09
Rot. Bonds3

About 1-cyclohexyl-4-(1,1,2,2-tetrafluoroethyl)benzene

1-cyclohexyl-4-(1,1,2,2-tetrafluoroethyl)benzene (PubChem CID 23236608) has the molecular formula C14H16F4 and a molecular weight of 260.27 g/mol. Its IUPAC name is 1-cyclohexyl-4-(1,1,2,2-tetrafluoroethyl)benzene.

Molecular Properties

Compound Name1-cyclohexyl-4-(1,1,2,2-tetrafluoroethyl)benzene
PubChem CID23236608
Molecular FormulaC14H16F4
Molecular Weight260.27 g/mol
Exact Mass260.12
IUPAC Name1-cyclohexyl-4-(1,1,2,2-tetrafluoroethyl)benzene
SMILESFC(F)C(F)(F)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C14H16F4/c15-13(16)14(17,18)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10,13H,1-5H2
InChIKeySURVAIGBBIYAHJ-UHFFFAOYSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.27
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-4-(1,1-difluoro-2-methylpropyl)benzene
CID 116841385
bis(4-cyclohexylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium
CID 166005175
1-(4-cyclohexylphenyl)-2,2,3,3-tetrafluoropropan-1-amine
CID 79660160
3-[4-(trifluoromethyl)phenyl]cycloheptan-1-ol
CID 64514395
1-(4-octylcyclohexyl)-4-[4-(1,1,2,2-tetrafluoroethyl)phenyl]benzene
CID 23188504
3-(4-cyclohexylphenyl)-3-methylbutan-2-one
CID 82294466
5-cyclohexyl-2-(trifluoromethyl)pyridine
CID 138976575
1-cyclohexyl-4-(2-hydroperoxypropan-2-yl)benzene
CID 24843348
5-(4-cyclohexylphenyl)-5,5-difluoropentanoic acid
CID 28931302
2-(4-cyclohexylphenyl)-3-(thiolan-1-ium-1-yl)butan-2-ol
CID 163987340
[4-propan-2-yl-3-(trifluoromethyl)phenyl]cyclononane
CID 146498942
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(1,1,2,2-tetrafluoroethyl)benzene?
The IUPAC name of 1-cyclohexyl-4-(1,1,2,2-tetrafluoroethyl)benzene (CID 23236608) is 1-cyclohexyl-4-(1,1,2,2-tetrafluoroethyl)benzene.
What is the SMILES notation for 1-cyclohexyl-4-(1,1,2,2-tetrafluoroethyl)benzene?
The canonical SMILES for 1-cyclohexyl-4-(1,1,2,2-tetrafluoroethyl)benzene is FC(F)C(F)(F)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-4-(1,1,2,2-tetrafluoroethyl)benzene?
The InChIKey is SURVAIGBBIYAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4/c15-13(16)14(17,18)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10,13H,1-5H2.
What are the key properties of 1-cyclohexyl-4-(1,1,2,2-tetrafluoroethyl)benzene?
1-cyclohexyl-4-(1,1,2,2-tetrafluoroethyl)benzene has a molecular weight of 260.27 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(1,1,2,2-tetrafluoroethyl)benzene is sourced from PubChem (CID 23236608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).