3-(2,2-difluoroethoxy)-N-[(3-hydroxycyclohexyl)methyl]propanamide

C12H21F2NO3 — CID 103522101

IUPAC3-(2,2-difluoroethoxy)-N-[(3-hydroxycyclohexyl)methyl]propanamide
SMILESO=C(CCOCC(F)F)NCC1CCCC(O)C1
InChIInChI=1S/C12H21F2NO3/c13-11(14)8-18-5-4-12(17)15-7-9-2-1-3-10(16)6-9/h9-11,16H,1-8H2,(H,15,17)
InChIKeyBJLKPNAYXZPLBL-UHFFFAOYSA-N
MW265.30 g/mol
LogP1.33
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-N-[(3-hydroxycyclohexyl)methyl]propanamide

3-(2,2-difluoroethoxy)-N-[(3-hydroxycyclohexyl)methyl]propanamide (PubChem CID 103522101) has the molecular formula C12H21F2NO3 and a molecular weight of 265.30 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-[(3-hydroxycyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-[(3-hydroxycyclohexyl)methyl]propanamide
PubChem CID103522101
Molecular FormulaC12H21F2NO3
Molecular Weight265.30 g/mol
Exact Mass265.15
IUPAC Name3-(2,2-difluoroethoxy)-N-[(3-hydroxycyclohexyl)methyl]propanamide
SMILESO=C(CCOCC(F)F)NCC1CCCC(O)C1
InChIInChI=1S/C12H21F2NO3/c13-11(14)8-18-5-4-12(17)15-7-9-2-1-3-10(16)6-9/h9-11,16H,1-8H2,(H,15,17)
InChIKeyBJLKPNAYXZPLBL-UHFFFAOYSA-N
XLogP1.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-(2,2-difluoroethoxy)-N-[(3-hydroxycyclohexyl)methyl]propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-[(3-hydroxycyclohexyl)methyl]propanamide (CID 103522101) is 3-(2,2-difluoroethoxy)-N-[(3-hydroxycyclohexyl)methyl]propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-[(3-hydroxycyclohexyl)methyl]propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-[(3-hydroxycyclohexyl)methyl]propanamide is O=C(CCOCC(F)F)NCC1CCCC(O)C1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-[(3-hydroxycyclohexyl)methyl]propanamide?
The InChIKey is BJLKPNAYXZPLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO3/c13-11(14)8-18-5-4-12(17)15-7-9-2-1-3-10(16)6-9/h9-11,16H,1-8H2,(H,15,17).
What are the key properties of 3-(2,2-difluoroethoxy)-N-[(3-hydroxycyclohexyl)methyl]propanamide?
3-(2,2-difluoroethoxy)-N-[(3-hydroxycyclohexyl)methyl]propanamide has a molecular weight of 265.30 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-[(3-hydroxycyclohexyl)methyl]propanamide is sourced from PubChem (CID 103522101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).