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

C11H21F2NO — CID 65052658

IUPAC[1-(difluoromethoxy)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(OC(F)F)CC1
InChIInChI=1S/C11H21F2NO/c1-2-3-9-4-6-11(8-14,7-5-9)15-10(12)13/h9-10H,2-8,14H2,1H3
InChIKeyNKYKVTYTOZCNAL-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.91
Rot. Bonds5

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

[1-(difluoromethoxy)-4-propylcyclohexyl]methanamine (PubChem CID 65052658) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is [1-(difluoromethoxy)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(difluoromethoxy)-4-propylcyclohexyl]methanamine
PubChem CID65052658
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name[1-(difluoromethoxy)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(OC(F)F)CC1
InChIInChI=1S/C11H21F2NO/c1-2-3-9-4-6-11(8-14,7-5-9)15-10(12)13/h9-10H,2-8,14H2,1H3
InChIKeyNKYKVTYTOZCNAL-UHFFFAOYSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethoxy)-4-propylcyclohexyl]methanamine?
The IUPAC name of [1-(difluoromethoxy)-4-propylcyclohexyl]methanamine (CID 65052658) is [1-(difluoromethoxy)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [1-(difluoromethoxy)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [1-(difluoromethoxy)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)(OC(F)F)CC1.
What is the InChIKey of [1-(difluoromethoxy)-4-propylcyclohexyl]methanamine?
The InChIKey is NKYKVTYTOZCNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-2-3-9-4-6-11(8-14,7-5-9)15-10(12)13/h9-10H,2-8,14H2,1H3.
What are the key properties of [1-(difluoromethoxy)-4-propylcyclohexyl]methanamine?
[1-(difluoromethoxy)-4-propylcyclohexyl]methanamine has a molecular weight of 221.29 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethoxy)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 65052658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).