[1-(difluoromethoxy)-4-methylcyclohexyl]methanamine

C9H17F2NO — CID 65051220

IUPAC[1-(difluoromethoxy)-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)(OC(F)F)CC1
InChIInChI=1S/C9H17F2NO/c1-7-2-4-9(6-12,5-3-7)13-8(10)11/h7-8H,2-6,12H2,1H3
InChIKeyLYDLOYPVBMQRFD-UHFFFAOYSA-N
MW193.24 g/mol
LogP2.13
Rot. Bonds3

About [1-(difluoromethoxy)-4-methylcyclohexyl]methanamine

[1-(difluoromethoxy)-4-methylcyclohexyl]methanamine (PubChem CID 65051220) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is [1-(difluoromethoxy)-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(difluoromethoxy)-4-methylcyclohexyl]methanamine
PubChem CID65051220
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name[1-(difluoromethoxy)-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)(OC(F)F)CC1
InChIInChI=1S/C9H17F2NO/c1-7-2-4-9(6-12,5-3-7)13-8(10)11/h7-8H,2-6,12H2,1H3
InChIKeyLYDLOYPVBMQRFD-UHFFFAOYSA-N
XLogP2.13
TPSA35.25 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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethoxy)-4-methylcyclohexyl]methanamine?
The IUPAC name of [1-(difluoromethoxy)-4-methylcyclohexyl]methanamine (CID 65051220) is [1-(difluoromethoxy)-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [1-(difluoromethoxy)-4-methylcyclohexyl]methanamine?
The canonical SMILES for [1-(difluoromethoxy)-4-methylcyclohexyl]methanamine is CC1CCC(CN)(OC(F)F)CC1.
What is the InChIKey of [1-(difluoromethoxy)-4-methylcyclohexyl]methanamine?
The InChIKey is LYDLOYPVBMQRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-7-2-4-9(6-12,5-3-7)13-8(10)11/h7-8H,2-6,12H2,1H3.
What are the key properties of [1-(difluoromethoxy)-4-methylcyclohexyl]methanamine?
[1-(difluoromethoxy)-4-methylcyclohexyl]methanamine has a molecular weight of 193.24 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethoxy)-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 65051220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).