2,3-difluoro-1-methoxy-4-(2-methylpentoxymethyl)cyclohexane

C14H26F2O2 — CID 118887179

IUPAC2,3-difluoro-1-methoxy-4-(2-methylpentoxymethyl)cyclohexane
SMILESCCCC(C)COCC1CCC(OC)C(F)C1F
InChIInChI=1S/C14H26F2O2/c1-4-5-10(2)8-18-9-11-6-7-12(17-3)14(16)13(11)15/h10-14H,4-9H2,1-3H3
InChIKeySWDCHWAKACWTEI-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.54
Rot. Bonds7

About 2,3-difluoro-1-methoxy-4-(2-methylpentoxymethyl)cyclohexane

2,3-difluoro-1-methoxy-4-(2-methylpentoxymethyl)cyclohexane (PubChem CID 118887179) has the molecular formula C14H26F2O2 and a molecular weight of 264.36 g/mol. Its IUPAC name is 2,3-difluoro-1-methoxy-4-(2-methylpentoxymethyl)cyclohexane.

Molecular Properties

Compound Name2,3-difluoro-1-methoxy-4-(2-methylpentoxymethyl)cyclohexane
PubChem CID118887179
Molecular FormulaC14H26F2O2
Molecular Weight264.36 g/mol
Exact Mass264.19
IUPAC Name2,3-difluoro-1-methoxy-4-(2-methylpentoxymethyl)cyclohexane
SMILESCCCC(C)COCC1CCC(OC)C(F)C1F
InChIInChI=1S/C14H26F2O2/c1-4-5-10(2)8-18-9-11-6-7-12(17-3)14(16)13(11)15/h10-14H,4-9H2,1-3H3
InChIKeySWDCHWAKACWTEI-UHFFFAOYSA-N
XLogP3.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-methoxy-4-(2-methylpentoxymethyl)cyclohexane?
The IUPAC name of 2,3-difluoro-1-methoxy-4-(2-methylpentoxymethyl)cyclohexane (CID 118887179) is 2,3-difluoro-1-methoxy-4-(2-methylpentoxymethyl)cyclohexane.
What is the SMILES notation for 2,3-difluoro-1-methoxy-4-(2-methylpentoxymethyl)cyclohexane?
The canonical SMILES for 2,3-difluoro-1-methoxy-4-(2-methylpentoxymethyl)cyclohexane is CCCC(C)COCC1CCC(OC)C(F)C1F.
What is the InChIKey of 2,3-difluoro-1-methoxy-4-(2-methylpentoxymethyl)cyclohexane?
The InChIKey is SWDCHWAKACWTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2O2/c1-4-5-10(2)8-18-9-11-6-7-12(17-3)14(16)13(11)15/h10-14H,4-9H2,1-3H3.
What are the key properties of 2,3-difluoro-1-methoxy-4-(2-methylpentoxymethyl)cyclohexane?
2,3-difluoro-1-methoxy-4-(2-methylpentoxymethyl)cyclohexane has a molecular weight of 264.36 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-methoxy-4-(2-methylpentoxymethyl)cyclohexane is sourced from PubChem (CID 118887179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).