3-(2,2-difluoroethyl)oxolan-3-amine

C6H11F2NO — CID 105429519

IUPAC3-(2,2-difluoroethyl)oxolan-3-amine
SMILESNC1(CC(F)F)CCOC1
InChIInChI=1S/C6H11F2NO/c7-5(8)3-6(9)1-2-10-4-6/h5H,1-4,9H2
InChIKeyLNGJIHSZXFGKEY-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.76
Rot. Bonds2

About 3-(2,2-difluoroethyl)oxolan-3-amine

3-(2,2-difluoroethyl)oxolan-3-amine (PubChem CID 105429519) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is 3-(2,2-difluoroethyl)oxolan-3-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethyl)oxolan-3-amine
PubChem CID105429519
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name3-(2,2-difluoroethyl)oxolan-3-amine
SMILESNC1(CC(F)F)CCOC1
InChIInChI=1S/C6H11F2NO/c7-5(8)3-6(9)1-2-10-4-6/h5H,1-4,9H2
InChIKeyLNGJIHSZXFGKEY-UHFFFAOYSA-N
XLogP0.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethyl)oxolan-3-amine?
The IUPAC name of 3-(2,2-difluoroethyl)oxolan-3-amine (CID 105429519) is 3-(2,2-difluoroethyl)oxolan-3-amine.
What is the SMILES notation for 3-(2,2-difluoroethyl)oxolan-3-amine?
The canonical SMILES for 3-(2,2-difluoroethyl)oxolan-3-amine is NC1(CC(F)F)CCOC1.
What is the InChIKey of 3-(2,2-difluoroethyl)oxolan-3-amine?
The InChIKey is LNGJIHSZXFGKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c7-5(8)3-6(9)1-2-10-4-6/h5H,1-4,9H2.
What are the key properties of 3-(2,2-difluoroethyl)oxolan-3-amine?
3-(2,2-difluoroethyl)oxolan-3-amine has a molecular weight of 151.16 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethyl)oxolan-3-amine is sourced from PubChem (CID 105429519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).