2,2-difluoro-N-methyl-1-(oxolan-3-yl)ethanamine

C7H13F2NO — CID 80604287

IUPAC2,2-difluoro-N-methyl-1-(oxolan-3-yl)ethanamine
SMILESCNC(C(F)F)C1CCOC1
InChIInChI=1S/C7H13F2NO/c1-10-6(7(8)9)5-2-3-11-4-5/h5-7,10H,2-4H2,1H3
InChIKeyLRLGCZLRKJLWMX-UHFFFAOYSA-N
MW165.18 g/mol
LogP0.88
Rot. Bonds3

About 2,2-difluoro-N-methyl-1-(oxolan-3-yl)ethanamine

2,2-difluoro-N-methyl-1-(oxolan-3-yl)ethanamine (PubChem CID 80604287) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 2,2-difluoro-N-methyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-methyl-1-(oxolan-3-yl)ethanamine
PubChem CID80604287
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name2,2-difluoro-N-methyl-1-(oxolan-3-yl)ethanamine
SMILESCNC(C(F)F)C1CCOC1
InChIInChI=1S/C7H13F2NO/c1-10-6(7(8)9)5-2-3-11-4-5/h5-7,10H,2-4H2,1H3
InChIKeyLRLGCZLRKJLWMX-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-methyl-1-(oxolan-3-yl)ethanamine
CID 55282487
2,2,2-Trifluoro-1-(tetrahydrofuran-3-yl)ethanamine
CID 63898855
Methanidyl-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]azanium
CID 155624841
N-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]propan-2-amine
CID 166470499
2,2,2-trifluoro-N-(oxolan-3-ylmethyl)ethanamine
CID 24705432
2-(Oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile
CID 60998407
2,2-difluoro-N-(oxolan-3-ylmethyl)ethanamine
CID 61039221
N,3-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 61490862
N-ethyl-3-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 61490863
3-methyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 61490864
3-ethyl-N-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 61490902
N,3-diethyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 61490903

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2,2-difluoro-N-methyl-1-(oxolan-3-yl)ethanamine (CID 80604287) is 2,2-difluoro-N-methyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2,2-difluoro-N-methyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2,2-difluoro-N-methyl-1-(oxolan-3-yl)ethanamine is CNC(C(F)F)C1CCOC1.
What is the InChIKey of 2,2-difluoro-N-methyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is LRLGCZLRKJLWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-10-6(7(8)9)5-2-3-11-4-5/h5-7,10H,2-4H2,1H3.
What are the key properties of 2,2-difluoro-N-methyl-1-(oxolan-3-yl)ethanamine?
2,2-difluoro-N-methyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 165.18 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 80604287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).