5-(2,2-difluoroethoxy)pentan-2-amine

C7H15F2NO — CID 82005044

IUPAC5-(2,2-difluoroethoxy)pentan-2-amine
SMILESCC(N)CCCOCC(F)F
InChIInChI=1S/C7H15F2NO/c1-6(10)3-2-4-11-5-7(8)9/h6-7H,2-5,10H2,1H3
InChIKeyRILSZWAXASBSFE-UHFFFAOYSA-N
MW167.20 g/mol
LogP1.40
Rot. Bonds6

About 5-(2,2-difluoroethoxy)pentan-2-amine

5-(2,2-difluoroethoxy)pentan-2-amine (PubChem CID 82005044) has the molecular formula C7H15F2NO and a molecular weight of 167.20 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)pentan-2-amine.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)pentan-2-amine
PubChem CID82005044
Molecular FormulaC7H15F2NO
Molecular Weight167.20 g/mol
Exact Mass167.11
IUPAC Name5-(2,2-difluoroethoxy)pentan-2-amine
SMILESCC(N)CCCOCC(F)F
InChIInChI=1S/C7H15F2NO/c1-6(10)3-2-4-11-5-7(8)9/h6-7H,2-5,10H2,1H3
InChIKeyRILSZWAXASBSFE-UHFFFAOYSA-N
XLogP1.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 51.40
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 5-(2,2-difluoroethoxy)pentan-2-amine?
The IUPAC name of 5-(2,2-difluoroethoxy)pentan-2-amine (CID 82005044) is 5-(2,2-difluoroethoxy)pentan-2-amine.
What is the SMILES notation for 5-(2,2-difluoroethoxy)pentan-2-amine?
The canonical SMILES for 5-(2,2-difluoroethoxy)pentan-2-amine is CC(N)CCCOCC(F)F.
What is the InChIKey of 5-(2,2-difluoroethoxy)pentan-2-amine?
The InChIKey is RILSZWAXASBSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO/c1-6(10)3-2-4-11-5-7(8)9/h6-7H,2-5,10H2,1H3.
What are the key properties of 5-(2,2-difluoroethoxy)pentan-2-amine?
5-(2,2-difluoroethoxy)pentan-2-amine has a molecular weight of 167.20 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxy)pentan-2-amine is sourced from PubChem (CID 82005044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).