1-[cyclohexyloxy(difluoro)methyl]-4-methylcyclohexane

C14H24F2O — CID 142035391

IUPAC1-[cyclohexyloxy(difluoro)methyl]-4-methylcyclohexane
SMILESCC1CCC(C(F)(F)OC2CCCCC2)CC1
InChIInChI=1S/C14H24F2O/c1-11-7-9-12(10-8-11)14(15,16)17-13-5-3-2-4-6-13/h11-13H,2-10H2,1H3
InChIKeyNMDNHXVDZFZRRJ-UHFFFAOYSA-N
MW246.34 g/mol
LogP4.75
Rot. Bonds3

About 1-[cyclohexyloxy(difluoro)methyl]-4-methylcyclohexane

1-[cyclohexyloxy(difluoro)methyl]-4-methylcyclohexane (PubChem CID 142035391) has the molecular formula C14H24F2O and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-[cyclohexyloxy(difluoro)methyl]-4-methylcyclohexane.

Molecular Properties

Compound Name1-[cyclohexyloxy(difluoro)methyl]-4-methylcyclohexane
PubChem CID142035391
Molecular FormulaC14H24F2O
Molecular Weight246.34 g/mol
Exact Mass246.18
IUPAC Name1-[cyclohexyloxy(difluoro)methyl]-4-methylcyclohexane
SMILESCC1CCC(C(F)(F)OC2CCCCC2)CC1
InChIInChI=1S/C14H24F2O/c1-11-7-9-12(10-8-11)14(15,16)17-13-5-3-2-4-6-13/h11-13H,2-10H2,1H3
InChIKeyNMDNHXVDZFZRRJ-UHFFFAOYSA-N
XLogP4.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyloxy(difluoro)methyl]-4-methylcyclohexane?
The IUPAC name of 1-[cyclohexyloxy(difluoro)methyl]-4-methylcyclohexane (CID 142035391) is 1-[cyclohexyloxy(difluoro)methyl]-4-methylcyclohexane.
What is the SMILES notation for 1-[cyclohexyloxy(difluoro)methyl]-4-methylcyclohexane?
The canonical SMILES for 1-[cyclohexyloxy(difluoro)methyl]-4-methylcyclohexane is CC1CCC(C(F)(F)OC2CCCCC2)CC1.
What is the InChIKey of 1-[cyclohexyloxy(difluoro)methyl]-4-methylcyclohexane?
The InChIKey is NMDNHXVDZFZRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2O/c1-11-7-9-12(10-8-11)14(15,16)17-13-5-3-2-4-6-13/h11-13H,2-10H2,1H3.
What are the key properties of 1-[cyclohexyloxy(difluoro)methyl]-4-methylcyclohexane?
1-[cyclohexyloxy(difluoro)methyl]-4-methylcyclohexane has a molecular weight of 246.34 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyloxy(difluoro)methyl]-4-methylcyclohexane is sourced from PubChem (CID 142035391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).