1-cyclohexyl-4-(1,1-difluoro-2-methylpropyl)benzene

C16H22F2 — CID 116841385

IUPAC1-cyclohexyl-4-(1,1-difluoro-2-methylpropyl)benzene
SMILESCC(C)C(F)(F)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H22F2/c1-12(2)16(17,18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3
InChIKeyDWHQIDXQIOYDJP-UHFFFAOYSA-N
MW252.35 g/mol
LogP5.48
Rot. Bonds3

About 1-cyclohexyl-4-(1,1-difluoro-2-methylpropyl)benzene

1-cyclohexyl-4-(1,1-difluoro-2-methylpropyl)benzene (PubChem CID 116841385) has the molecular formula C16H22F2 and a molecular weight of 252.35 g/mol. Its IUPAC name is 1-cyclohexyl-4-(1,1-difluoro-2-methylpropyl)benzene.

Molecular Properties

Compound Name1-cyclohexyl-4-(1,1-difluoro-2-methylpropyl)benzene
PubChem CID116841385
Molecular FormulaC16H22F2
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name1-cyclohexyl-4-(1,1-difluoro-2-methylpropyl)benzene
SMILESCC(C)C(F)(F)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H22F2/c1-12(2)16(17,18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3
InChIKeyDWHQIDXQIOYDJP-UHFFFAOYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.35
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 23236608
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CID 163987340
bis(4-cyclohexylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium
CID 166005175
3-(4-cyclohexylphenyl)-3-methylbutan-2-one
CID 82294466
1-cyclohexyl-4-(2-hydroperoxypropan-2-yl)benzene
CID 24843348
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CID 28931302
4-[2-(4-cyclohexylphenyl)propan-2-yl]-1-propan-2-ylpiperidine
CID 146530215
[4-propan-2-yl-3-(trifluoromethyl)phenyl]cyclononane
CID 146498942
1-(4-cyclohexylphenyl)-2,2,3,3-tetrafluoropropan-1-amine
CID 79660160
[4-(1-methoxyethyl)phenyl]cycloheptane
CID 143858990
1-(4-cyclohexylphenyl)-N-methylethanamine
CID 43484988
2-[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]propan-2-amine
CID 89089279

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(1,1-difluoro-2-methylpropyl)benzene?
The IUPAC name of 1-cyclohexyl-4-(1,1-difluoro-2-methylpropyl)benzene (CID 116841385) is 1-cyclohexyl-4-(1,1-difluoro-2-methylpropyl)benzene.
What is the SMILES notation for 1-cyclohexyl-4-(1,1-difluoro-2-methylpropyl)benzene?
The canonical SMILES for 1-cyclohexyl-4-(1,1-difluoro-2-methylpropyl)benzene is CC(C)C(F)(F)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-4-(1,1-difluoro-2-methylpropyl)benzene?
The InChIKey is DWHQIDXQIOYDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2/c1-12(2)16(17,18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3.
What are the key properties of 1-cyclohexyl-4-(1,1-difluoro-2-methylpropyl)benzene?
1-cyclohexyl-4-(1,1-difluoro-2-methylpropyl)benzene has a molecular weight of 252.35 g/mol, XLogP of 5.48, 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-difluoro-2-methylpropyl)benzene is sourced from PubChem (CID 116841385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).