N-(2,2-difluoroethyl)-2-methyloxolan-3-amine

C7H13F2NO — CID 82719371

IUPACN-(2,2-difluoroethyl)-2-methyloxolan-3-amine
SMILESCC1OCCC1NCC(F)F
InChIInChI=1S/C7H13F2NO/c1-5-6(2-3-11-5)10-4-7(8)9/h5-7,10H,2-4H2,1H3
InChIKeyOIGYGOBJDHQCSB-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.02
Rot. Bonds3

About N-(2,2-difluoroethyl)-2-methyloxolan-3-amine

N-(2,2-difluoroethyl)-2-methyloxolan-3-amine (PubChem CID 82719371) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-methyloxolan-3-amine
PubChem CID82719371
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC NameN-(2,2-difluoroethyl)-2-methyloxolan-3-amine
SMILESCC1OCCC1NCC(F)F
InChIInChI=1S/C7H13F2NO/c1-5-6(2-3-11-5)10-4-7(8)9/h5-7,10H,2-4H2,1H3
InChIKeyOIGYGOBJDHQCSB-UHFFFAOYSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.02
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-methyloxolan-3-amine?
The IUPAC name of N-(2,2-difluoroethyl)-2-methyloxolan-3-amine (CID 82719371) is N-(2,2-difluoroethyl)-2-methyloxolan-3-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-methyloxolan-3-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-2-methyloxolan-3-amine is CC1OCCC1NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-2-methyloxolan-3-amine?
The InChIKey is OIGYGOBJDHQCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-5-6(2-3-11-5)10-4-7(8)9/h5-7,10H,2-4H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-2-methyloxolan-3-amine?
N-(2,2-difluoroethyl)-2-methyloxolan-3-amine has a molecular weight of 165.18 g/mol, XLogP of 1.02, 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-methyloxolan-3-amine is sourced from PubChem (CID 82719371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).