1,1-difluoro-5-methyl-2-propylcyclohexane

C10H18F2 — CID 22892284

IUPAC1,1-difluoro-5-methyl-2-propylcyclohexane
SMILESCCCC1CCC(C)CC1(F)F
InChIInChI=1S/C10H18F2/c1-3-4-9-6-5-8(2)7-10(9,11)12/h8-9H,3-7H2,1-2H3
InChIKeyQALYUBJGARSZLH-UHFFFAOYSA-N
MW176.25 g/mol
LogP3.86
Rot. Bonds2

About 1,1-difluoro-5-methyl-2-propylcyclohexane

1,1-difluoro-5-methyl-2-propylcyclohexane (PubChem CID 22892284) has the molecular formula C10H18F2 and a molecular weight of 176.25 g/mol. Its IUPAC name is 1,1-difluoro-5-methyl-2-propylcyclohexane.

Molecular Properties

Compound Name1,1-difluoro-5-methyl-2-propylcyclohexane
PubChem CID22892284
Molecular FormulaC10H18F2
Molecular Weight176.25 g/mol
Exact Mass176.14
IUPAC Name1,1-difluoro-5-methyl-2-propylcyclohexane
SMILESCCCC1CCC(C)CC1(F)F
InChIInChI=1S/C10H18F2/c1-3-4-9-6-5-8(2)7-10(9,11)12/h8-9H,3-7H2,1-2H3
InChIKeyQALYUBJGARSZLH-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.25
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-5-methyl-2-propylcyclohexane?
The IUPAC name of 1,1-difluoro-5-methyl-2-propylcyclohexane (CID 22892284) is 1,1-difluoro-5-methyl-2-propylcyclohexane.
What is the SMILES notation for 1,1-difluoro-5-methyl-2-propylcyclohexane?
The canonical SMILES for 1,1-difluoro-5-methyl-2-propylcyclohexane is CCCC1CCC(C)CC1(F)F.
What is the InChIKey of 1,1-difluoro-5-methyl-2-propylcyclohexane?
The InChIKey is QALYUBJGARSZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2/c1-3-4-9-6-5-8(2)7-10(9,11)12/h8-9H,3-7H2,1-2H3.
What are the key properties of 1,1-difluoro-5-methyl-2-propylcyclohexane?
1,1-difluoro-5-methyl-2-propylcyclohexane has a molecular weight of 176.25 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-5-methyl-2-propylcyclohexane is sourced from PubChem (CID 22892284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).