2-[3-(difluoromethyl)oxolan-3-yl]ethanamine

C7H13F2NO — CID 115013006

IUPAC2-[3-(difluoromethyl)oxolan-3-yl]ethanamine
SMILESNCCC1(C(F)F)CCOC1
InChIInChI=1S/C7H13F2NO/c8-6(9)7(1-3-10)2-4-11-5-7/h6H,1-5,10H2
InChIKeyLIRBVMVLFWCMHC-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.01
Rot. Bonds3

About 2-[3-(difluoromethyl)oxolan-3-yl]ethanamine

2-[3-(difluoromethyl)oxolan-3-yl]ethanamine (PubChem CID 115013006) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)oxolan-3-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(difluoromethyl)oxolan-3-yl]ethanamine
PubChem CID115013006
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name2-[3-(difluoromethyl)oxolan-3-yl]ethanamine
SMILESNCCC1(C(F)F)CCOC1
InChIInChI=1S/C7H13F2NO/c8-6(9)7(1-3-10)2-4-11-5-7/h6H,1-5,10H2
InChIKeyLIRBVMVLFWCMHC-UHFFFAOYSA-N
XLogP1.01
TPSA35.25 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 ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)oxolan-3-yl]ethanamine?
The IUPAC name of 2-[3-(difluoromethyl)oxolan-3-yl]ethanamine (CID 115013006) is 2-[3-(difluoromethyl)oxolan-3-yl]ethanamine.
What is the SMILES notation for 2-[3-(difluoromethyl)oxolan-3-yl]ethanamine?
The canonical SMILES for 2-[3-(difluoromethyl)oxolan-3-yl]ethanamine is NCCC1(C(F)F)CCOC1.
What is the InChIKey of 2-[3-(difluoromethyl)oxolan-3-yl]ethanamine?
The InChIKey is LIRBVMVLFWCMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c8-6(9)7(1-3-10)2-4-11-5-7/h6H,1-5,10H2.
What are the key properties of 2-[3-(difluoromethyl)oxolan-3-yl]ethanamine?
2-[3-(difluoromethyl)oxolan-3-yl]ethanamine has a molecular weight of 165.18 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)oxolan-3-yl]ethanamine is sourced from PubChem (CID 115013006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).