2,2-difluoro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine

C7H13F2NO — CID 51891281

IUPAC2,2-difluoro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
SMILESFC(F)CNC[C@@H]1CCCO1
InChIInChI=1S/C7H13F2NO/c8-7(9)5-10-4-6-2-1-3-11-6/h6-7,10H,1-5H2/t6-/m0/s1
InChIKeyZAHREGMQUOQMEZ-LURJTMIESA-N
MW165.18 g/mol
LogP1.02
Rot. Bonds4

About 2,2-difluoro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine

2,2-difluoro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine (PubChem CID 51891281) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 2,2-difluoro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
PubChem CID51891281
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name2,2-difluoro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
SMILESFC(F)CNC[C@@H]1CCCO1
InChIInChI=1S/C7H13F2NO/c8-7(9)5-10-4-6-2-1-3-11-6/h6-7,10H,1-5H2/t6-/m0/s1
InChIKeyZAHREGMQUOQMEZ-LURJTMIESA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

N-(Tetrahydrofurfuryl)-N-methylamine
CID 98090
N-Ethyltetrahydrofurfurylamine
CID 98295
N-(oxolan-2-ylmethyl)butan-1-amine
CID 263177
Acetamide, N-tetrahydrofurfuryl-2,2,2-trifluoro-
CID 532126
Methyl((oxolan-2-yl)methyl)amine hydrochloride
CID 521225
methyl({[(2R)-oxolan-2-yl]methyl})amine
CID 41098313
methyl((((2S)-oxolan-2-yl)methyl))amine
CID 41098315
2-((Difluoromethoxy)methyl)pyrrolidine
CID 114782795
Propyl-(tetrahydro-furan-2-ylmethyl)-amine
CID 3144565
(4,4-Difluorooxolan-2-yl)methanamine
CID 132351233
1-(4,4-difluorooxolan-2-yl)-N-methylmethanamine
CID 177808931
2-[(Trifluoromethoxy)methyl]pyrrolidine
CID 53406432

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine (CID 51891281) is 2,2-difluoro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine is FC(F)CNC[C@@H]1CCCO1.
What is the InChIKey of 2,2-difluoro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine?
The InChIKey is ZAHREGMQUOQMEZ-LURJTMIESA-N. The full InChI is InChI=1S/C7H13F2NO/c8-7(9)5-10-4-6-2-1-3-11-6/h6-7,10H,1-5H2/t6-/m0/s1.
What are the key properties of 2,2-difluoro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine?
2,2-difluoro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine has a molecular weight of 165.18 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine is sourced from PubChem (CID 51891281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).