1,2-difluoro-4-(4-heptylcyclohexyl)benzene

C19H28F2 — CID 587773

IUPAC1,2-difluoro-4-(4-heptylcyclohexyl)benzene
SMILESCCCCCCCC1CCC(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C19H28F2/c1-2-3-4-5-6-7-15-8-10-16(11-9-15)17-12-13-18(20)19(21)14-17/h12-16H,2-11H2,1H3
InChIKeyXZJQPRYOMYTPOL-UHFFFAOYSA-N
MW294.43 g/mol
LogP6.60
Rot. Bonds7

About 1,2-difluoro-4-(4-heptylcyclohexyl)benzene

1,2-difluoro-4-(4-heptylcyclohexyl)benzene (PubChem CID 587773) has the molecular formula C19H28F2 and a molecular weight of 294.43 g/mol. Its IUPAC name is 1,2-difluoro-4-(4-heptylcyclohexyl)benzene.

Molecular Properties

Compound Name1,2-difluoro-4-(4-heptylcyclohexyl)benzene
PubChem CID587773
Molecular FormulaC19H28F2
Molecular Weight294.43 g/mol
Exact Mass294.22
IUPAC Name1,2-difluoro-4-(4-heptylcyclohexyl)benzene
SMILESCCCCCCCC1CCC(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C19H28F2/c1-2-3-4-5-6-7-15-8-10-16(11-9-15)17-12-13-18(20)19(21)14-17/h12-16H,2-11H2,1H3
InChIKeyXZJQPRYOMYTPOL-UHFFFAOYSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.43
LogP ≤ 56.60
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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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-(4-heptylcyclohexyl)benzene?
The IUPAC name of 1,2-difluoro-4-(4-heptylcyclohexyl)benzene (CID 587773) is 1,2-difluoro-4-(4-heptylcyclohexyl)benzene.
What is the SMILES notation for 1,2-difluoro-4-(4-heptylcyclohexyl)benzene?
The canonical SMILES for 1,2-difluoro-4-(4-heptylcyclohexyl)benzene is CCCCCCCC1CCC(c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1,2-difluoro-4-(4-heptylcyclohexyl)benzene?
The InChIKey is XZJQPRYOMYTPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F2/c1-2-3-4-5-6-7-15-8-10-16(11-9-15)17-12-13-18(20)19(21)14-17/h12-16H,2-11H2,1H3.
What are the key properties of 1,2-difluoro-4-(4-heptylcyclohexyl)benzene?
1,2-difluoro-4-(4-heptylcyclohexyl)benzene has a molecular weight of 294.43 g/mol, XLogP of 6.60, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-(4-heptylcyclohexyl)benzene is sourced from PubChem (CID 587773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).