1-cyclohexyl-2-fluorobenzene;1,3-difluorobenzene

C18H19F3 — CID 174812283

IUPAC1-cyclohexyl-2-fluorobenzene;1,3-difluorobenzene
SMILESFc1cccc(F)c1.Fc1ccccc1C1CCCCC1
InChIInChI=1S/C12H15F.C6H4F2/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;7-5-2-1-3-6(8)4-5/h4-5,8-10H,1-3,6-7H2;1-4H
InChIKeyFGYLXSJXINFGFA-UHFFFAOYSA-N
MW292.34 g/mol
LogP5.84
Rot. Bonds1

About 1-cyclohexyl-2-fluorobenzene;1,3-difluorobenzene

1-cyclohexyl-2-fluorobenzene;1,3-difluorobenzene (PubChem CID 174812283) has the molecular formula C18H19F3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-cyclohexyl-2-fluorobenzene;1,3-difluorobenzene.

Molecular Properties

Compound Name1-cyclohexyl-2-fluorobenzene;1,3-difluorobenzene
PubChem CID174812283
Molecular FormulaC18H19F3
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name1-cyclohexyl-2-fluorobenzene;1,3-difluorobenzene
SMILESFc1cccc(F)c1.Fc1ccccc1C1CCCCC1
InChIInChI=1S/C12H15F.C6H4F2/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;7-5-2-1-3-6(8)4-5/h4-5,8-10H,1-3,6-7H2;1-4H
InChIKeyFGYLXSJXINFGFA-UHFFFAOYSA-N
XLogP5.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.34
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-fluorobenzene;1,3-difluorobenzene?
The IUPAC name of 1-cyclohexyl-2-fluorobenzene;1,3-difluorobenzene (CID 174812283) is 1-cyclohexyl-2-fluorobenzene;1,3-difluorobenzene.
What is the SMILES notation for 1-cyclohexyl-2-fluorobenzene;1,3-difluorobenzene?
The canonical SMILES for 1-cyclohexyl-2-fluorobenzene;1,3-difluorobenzene is Fc1cccc(F)c1.Fc1ccccc1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-fluorobenzene;1,3-difluorobenzene?
The InChIKey is FGYLXSJXINFGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F.C6H4F2/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;7-5-2-1-3-6(8)4-5/h4-5,8-10H,1-3,6-7H2;1-4H.
What are the key properties of 1-cyclohexyl-2-fluorobenzene;1,3-difluorobenzene?
1-cyclohexyl-2-fluorobenzene;1,3-difluorobenzene has a molecular weight of 292.34 g/mol, XLogP of 5.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-fluorobenzene;1,3-difluorobenzene is sourced from PubChem (CID 174812283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).