N-[2,2-difluoro-1-(oxolan-3-yl)ethyl]propan-1-amine

C9H17F2NO — CID 80604407

IUPACN-[2,2-difluoro-1-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(C(F)F)C1CCOC1
InChIInChI=1S/C9H17F2NO/c1-2-4-12-8(9(10)11)7-3-5-13-6-7/h7-9,12H,2-6H2,1H3
InChIKeyXDWKHQJZWFFIEI-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.66
Rot. Bonds5

About N-[2,2-difluoro-1-(oxolan-3-yl)ethyl]propan-1-amine

N-[2,2-difluoro-1-(oxolan-3-yl)ethyl]propan-1-amine (PubChem CID 80604407) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is N-[2,2-difluoro-1-(oxolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,2-difluoro-1-(oxolan-3-yl)ethyl]propan-1-amine
PubChem CID80604407
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC NameN-[2,2-difluoro-1-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(C(F)F)C1CCOC1
InChIInChI=1S/C9H17F2NO/c1-2-4-12-8(9(10)11)7-3-5-13-6-7/h7-9,12H,2-6H2,1H3
InChIKeyXDWKHQJZWFFIEI-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2,2-difluoro-1-(oxolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2,2-difluoro-1-(oxolan-3-yl)ethyl]propan-1-amine (CID 80604407) is N-[2,2-difluoro-1-(oxolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2,2-difluoro-1-(oxolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2,2-difluoro-1-(oxolan-3-yl)ethyl]propan-1-amine is CCCNC(C(F)F)C1CCOC1.
What is the InChIKey of N-[2,2-difluoro-1-(oxolan-3-yl)ethyl]propan-1-amine?
The InChIKey is XDWKHQJZWFFIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-2-4-12-8(9(10)11)7-3-5-13-6-7/h7-9,12H,2-6H2,1H3.
What are the key properties of N-[2,2-difluoro-1-(oxolan-3-yl)ethyl]propan-1-amine?
N-[2,2-difluoro-1-(oxolan-3-yl)ethyl]propan-1-amine has a molecular weight of 193.24 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-difluoro-1-(oxolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 80604407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).