1,1-difluoro-N-[2-(oxolan-2-yl)ethyl]propan-2-amine

C9H17F2NO — CID 102869255

IUPAC1,1-difluoro-N-[2-(oxolan-2-yl)ethyl]propan-2-amine
SMILESCC(NCCC1CCCO1)C(F)F
InChIInChI=1S/C9H17F2NO/c1-7(9(10)11)12-5-4-8-3-2-6-13-8/h7-9,12H,2-6H2,1H3
InChIKeyLOOOOYGOIRAXIW-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.80
Rot. Bonds5

About 1,1-difluoro-N-[2-(oxolan-2-yl)ethyl]propan-2-amine

1,1-difluoro-N-[2-(oxolan-2-yl)ethyl]propan-2-amine (PubChem CID 102869255) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 1,1-difluoro-N-[2-(oxolan-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-[2-(oxolan-2-yl)ethyl]propan-2-amine
PubChem CID102869255
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name1,1-difluoro-N-[2-(oxolan-2-yl)ethyl]propan-2-amine
SMILESCC(NCCC1CCCO1)C(F)F
InChIInChI=1S/C9H17F2NO/c1-7(9(10)11)12-5-4-8-3-2-6-13-8/h7-9,12H,2-6H2,1H3
InChIKeyLOOOOYGOIRAXIW-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[2-(oxolan-2-yl)ethyl]propan-2-amine?
The IUPAC name of 1,1-difluoro-N-[2-(oxolan-2-yl)ethyl]propan-2-amine (CID 102869255) is 1,1-difluoro-N-[2-(oxolan-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-[2-(oxolan-2-yl)ethyl]propan-2-amine?
The canonical SMILES for 1,1-difluoro-N-[2-(oxolan-2-yl)ethyl]propan-2-amine is CC(NCCC1CCCO1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-[2-(oxolan-2-yl)ethyl]propan-2-amine?
The InChIKey is LOOOOYGOIRAXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-7(9(10)11)12-5-4-8-3-2-6-13-8/h7-9,12H,2-6H2,1H3.
What are the key properties of 1,1-difluoro-N-[2-(oxolan-2-yl)ethyl]propan-2-amine?
1,1-difluoro-N-[2-(oxolan-2-yl)ethyl]propan-2-amine has a molecular weight of 193.24 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[2-(oxolan-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 102869255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).