1-cyclohexyl-3-(2,2-difluoroethoxy)propan-1-amine

C11H21F2NO — CID 103148810

IUPAC1-cyclohexyl-3-(2,2-difluoroethoxy)propan-1-amine
SMILESNC(CCOCC(F)F)C1CCCCC1
InChIInChI=1S/C11H21F2NO/c12-11(13)8-15-7-6-10(14)9-4-2-1-3-5-9/h9-11H,1-8,14H2
InChIKeyYLDSFHKCIMPCQW-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.57
Rot. Bonds6

About 1-cyclohexyl-3-(2,2-difluoroethoxy)propan-1-amine

1-cyclohexyl-3-(2,2-difluoroethoxy)propan-1-amine (PubChem CID 103148810) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2,2-difluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-3-(2,2-difluoroethoxy)propan-1-amine
PubChem CID103148810
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name1-cyclohexyl-3-(2,2-difluoroethoxy)propan-1-amine
SMILESNC(CCOCC(F)F)C1CCCCC1
InChIInChI=1S/C11H21F2NO/c12-11(13)8-15-7-6-10(14)9-4-2-1-3-5-9/h9-11H,1-8,14H2
InChIKeyYLDSFHKCIMPCQW-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2,2-difluoroethoxy)propan-1-amine?
The IUPAC name of 1-cyclohexyl-3-(2,2-difluoroethoxy)propan-1-amine (CID 103148810) is 1-cyclohexyl-3-(2,2-difluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-cyclohexyl-3-(2,2-difluoroethoxy)propan-1-amine?
The canonical SMILES for 1-cyclohexyl-3-(2,2-difluoroethoxy)propan-1-amine is NC(CCOCC(F)F)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2,2-difluoroethoxy)propan-1-amine?
The InChIKey is YLDSFHKCIMPCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c12-11(13)8-15-7-6-10(14)9-4-2-1-3-5-9/h9-11H,1-8,14H2.
What are the key properties of 1-cyclohexyl-3-(2,2-difluoroethoxy)propan-1-amine?
1-cyclohexyl-3-(2,2-difluoroethoxy)propan-1-amine has a molecular weight of 221.29 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2,2-difluoroethoxy)propan-1-amine is sourced from PubChem (CID 103148810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).