1-(difluoromethyl)-3-methoxy-N-methylcyclohexan-1-amine

C9H17F2NO — CID 106874361

IUPAC1-(difluoromethyl)-3-methoxy-N-methylcyclohexan-1-amine
SMILESCNC1(C(F)F)CCCC(OC)C1
InChIInChI=1S/C9H17F2NO/c1-12-9(8(10)11)5-3-4-7(6-9)13-2/h7-8,12H,3-6H2,1-2H3
InChIKeyOUYUUODERVEMCC-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.80
Rot. Bonds3

About 1-(difluoromethyl)-3-methoxy-N-methylcyclohexan-1-amine

1-(difluoromethyl)-3-methoxy-N-methylcyclohexan-1-amine (PubChem CID 106874361) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-methoxy-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(difluoromethyl)-3-methoxy-N-methylcyclohexan-1-amine
PubChem CID106874361
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name1-(difluoromethyl)-3-methoxy-N-methylcyclohexan-1-amine
SMILESCNC1(C(F)F)CCCC(OC)C1
InChIInChI=1S/C9H17F2NO/c1-12-9(8(10)11)5-3-4-7(6-9)13-2/h7-8,12H,3-6H2,1-2H3
InChIKeyOUYUUODERVEMCC-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-methoxy-N-methylcyclohexan-1-amine?
The IUPAC name of 1-(difluoromethyl)-3-methoxy-N-methylcyclohexan-1-amine (CID 106874361) is 1-(difluoromethyl)-3-methoxy-N-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(difluoromethyl)-3-methoxy-N-methylcyclohexan-1-amine?
The canonical SMILES for 1-(difluoromethyl)-3-methoxy-N-methylcyclohexan-1-amine is CNC1(C(F)F)CCCC(OC)C1.
What is the InChIKey of 1-(difluoromethyl)-3-methoxy-N-methylcyclohexan-1-amine?
The InChIKey is OUYUUODERVEMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-12-9(8(10)11)5-3-4-7(6-9)13-2/h7-8,12H,3-6H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-3-methoxy-N-methylcyclohexan-1-amine?
1-(difluoromethyl)-3-methoxy-N-methylcyclohexan-1-amine has a molecular weight of 193.24 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-methoxy-N-methylcyclohexan-1-amine is sourced from PubChem (CID 106874361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).