2-cyclohexyl-3-(difluoromethoxy)-N-methylpropan-1-amine

C11H21F2NO — CID 84724793

IUPAC2-cyclohexyl-3-(difluoromethoxy)-N-methylpropan-1-amine
SMILESCNCC(COC(F)F)C1CCCCC1
InChIInChI=1S/C11H21F2NO/c1-14-7-10(8-15-11(12)13)9-5-3-2-4-6-9/h9-11,14H,2-8H2,1H3
InChIKeyVOWKXVCMZNTSSW-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.64
Rot. Bonds6

About 2-cyclohexyl-3-(difluoromethoxy)-N-methylpropan-1-amine

2-cyclohexyl-3-(difluoromethoxy)-N-methylpropan-1-amine (PubChem CID 84724793) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 2-cyclohexyl-3-(difluoromethoxy)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-3-(difluoromethoxy)-N-methylpropan-1-amine
PubChem CID84724793
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name2-cyclohexyl-3-(difluoromethoxy)-N-methylpropan-1-amine
SMILESCNCC(COC(F)F)C1CCCCC1
InChIInChI=1S/C11H21F2NO/c1-14-7-10(8-15-11(12)13)9-5-3-2-4-6-9/h9-11,14H,2-8H2,1H3
InChIKeyVOWKXVCMZNTSSW-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-(difluoromethoxy)-N-methylpropan-1-amine?
The IUPAC name of 2-cyclohexyl-3-(difluoromethoxy)-N-methylpropan-1-amine (CID 84724793) is 2-cyclohexyl-3-(difluoromethoxy)-N-methylpropan-1-amine.
What is the SMILES notation for 2-cyclohexyl-3-(difluoromethoxy)-N-methylpropan-1-amine?
The canonical SMILES for 2-cyclohexyl-3-(difluoromethoxy)-N-methylpropan-1-amine is CNCC(COC(F)F)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3-(difluoromethoxy)-N-methylpropan-1-amine?
The InChIKey is VOWKXVCMZNTSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-14-7-10(8-15-11(12)13)9-5-3-2-4-6-9/h9-11,14H,2-8H2,1H3.
What are the key properties of 2-cyclohexyl-3-(difluoromethoxy)-N-methylpropan-1-amine?
2-cyclohexyl-3-(difluoromethoxy)-N-methylpropan-1-amine has a molecular weight of 221.29 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-(difluoromethoxy)-N-methylpropan-1-amine is sourced from PubChem (CID 84724793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).