N-(2,2-difluoroethyl)-2,2,5,5-tetramethyloxolan-3-amine

C10H19F2NO — CID 115405994

IUPACN-(2,2-difluoroethyl)-2,2,5,5-tetramethyloxolan-3-amine
SMILESCC1(C)CC(NCC(F)F)C(C)(C)O1
InChIInChI=1S/C10H19F2NO/c1-9(2)5-7(10(3,4)14-9)13-6-8(11)12/h7-8,13H,5-6H2,1-4H3
InChIKeyKZEIXFDWUKBJMF-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.19
Rot. Bonds3

About N-(2,2-difluoroethyl)-2,2,5,5-tetramethyloxolan-3-amine

N-(2,2-difluoroethyl)-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 115405994) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID115405994
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC NameN-(2,2-difluoroethyl)-2,2,5,5-tetramethyloxolan-3-amine
SMILESCC1(C)CC(NCC(F)F)C(C)(C)O1
InChIInChI=1S/C10H19F2NO/c1-9(2)5-7(10(3,4)14-9)13-6-8(11)12/h7-8,13H,5-6H2,1-4H3
InChIKeyKZEIXFDWUKBJMF-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of N-(2,2-difluoroethyl)-2,2,5,5-tetramethyloxolan-3-amine (CID 115405994) is N-(2,2-difluoroethyl)-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-2,2,5,5-tetramethyloxolan-3-amine is CC1(C)CC(NCC(F)F)C(C)(C)O1.
What is the InChIKey of N-(2,2-difluoroethyl)-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is KZEIXFDWUKBJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-9(2)5-7(10(3,4)14-9)13-6-8(11)12/h7-8,13H,5-6H2,1-4H3.
What are the key properties of N-(2,2-difluoroethyl)-2,2,5,5-tetramethyloxolan-3-amine?
N-(2,2-difluoroethyl)-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 207.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 115405994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).