2,3-difluoro-1-methyl-4-propoxycyclohexane

C10H18F2O — CID 89273822

IUPAC2,3-difluoro-1-methyl-4-propoxycyclohexane
SMILESCCCOC1CCC(C)C(F)C1F
InChIInChI=1S/C10H18F2O/c1-3-6-13-8-5-4-7(2)9(11)10(8)12/h7-10H,3-6H2,1-2H3
InChIKeyARCSXFIOCXDBQY-UHFFFAOYSA-N
MW192.25 g/mol
LogP2.89
Rot. Bonds3

About 2,3-difluoro-1-methyl-4-propoxycyclohexane

2,3-difluoro-1-methyl-4-propoxycyclohexane (PubChem CID 89273822) has the molecular formula C10H18F2O and a molecular weight of 192.25 g/mol. Its IUPAC name is 2,3-difluoro-1-methyl-4-propoxycyclohexane.

Molecular Properties

Compound Name2,3-difluoro-1-methyl-4-propoxycyclohexane
PubChem CID89273822
Molecular FormulaC10H18F2O
Molecular Weight192.25 g/mol
Exact Mass192.13
IUPAC Name2,3-difluoro-1-methyl-4-propoxycyclohexane
SMILESCCCOC1CCC(C)C(F)C1F
InChIInChI=1S/C10H18F2O/c1-3-6-13-8-5-4-7(2)9(11)10(8)12/h7-10H,3-6H2,1-2H3
InChIKeyARCSXFIOCXDBQY-UHFFFAOYSA-N
XLogP2.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-methyl-4-propoxycyclohexane?
The IUPAC name of 2,3-difluoro-1-methyl-4-propoxycyclohexane (CID 89273822) is 2,3-difluoro-1-methyl-4-propoxycyclohexane.
What is the SMILES notation for 2,3-difluoro-1-methyl-4-propoxycyclohexane?
The canonical SMILES for 2,3-difluoro-1-methyl-4-propoxycyclohexane is CCCOC1CCC(C)C(F)C1F.
What is the InChIKey of 2,3-difluoro-1-methyl-4-propoxycyclohexane?
The InChIKey is ARCSXFIOCXDBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O/c1-3-6-13-8-5-4-7(2)9(11)10(8)12/h7-10H,3-6H2,1-2H3.
What are the key properties of 2,3-difluoro-1-methyl-4-propoxycyclohexane?
2,3-difluoro-1-methyl-4-propoxycyclohexane has a molecular weight of 192.25 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-methyl-4-propoxycyclohexane is sourced from PubChem (CID 89273822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).