1-(2,2-difluoroethoxy)octan-3-amine

C10H21F2NO — CID 103148850

IUPAC1-(2,2-difluoroethoxy)octan-3-amine
SMILESCCCCCC(N)CCOCC(F)F
InChIInChI=1S/C10H21F2NO/c1-2-3-4-5-9(13)6-7-14-8-10(11)12/h9-10H,2-8,13H2,1H3
InChIKeyCWFOXKUIGOPGJD-UHFFFAOYSA-N
MW209.28 g/mol
LogP2.57
Rot. Bonds9

About 1-(2,2-difluoroethoxy)octan-3-amine

1-(2,2-difluoroethoxy)octan-3-amine (PubChem CID 103148850) has the molecular formula C10H21F2NO and a molecular weight of 209.28 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)octan-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)octan-3-amine
PubChem CID103148850
Molecular FormulaC10H21F2NO
Molecular Weight209.28 g/mol
Exact Mass209.16
IUPAC Name1-(2,2-difluoroethoxy)octan-3-amine
SMILESCCCCCC(N)CCOCC(F)F
InChIInChI=1S/C10H21F2NO/c1-2-3-4-5-9(13)6-7-14-8-10(11)12/h9-10H,2-8,13H2,1H3
InChIKeyCWFOXKUIGOPGJD-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
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-(2,2-difluoroethoxy)octan-3-amine?
The IUPAC name of 1-(2,2-difluoroethoxy)octan-3-amine (CID 103148850) is 1-(2,2-difluoroethoxy)octan-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethoxy)octan-3-amine?
The canonical SMILES for 1-(2,2-difluoroethoxy)octan-3-amine is CCCCCC(N)CCOCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethoxy)octan-3-amine?
The InChIKey is CWFOXKUIGOPGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2NO/c1-2-3-4-5-9(13)6-7-14-8-10(11)12/h9-10H,2-8,13H2,1H3.
What are the key properties of 1-(2,2-difluoroethoxy)octan-3-amine?
1-(2,2-difluoroethoxy)octan-3-amine has a molecular weight of 209.28 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)octan-3-amine is sourced from PubChem (CID 103148850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).