3-(difluoromethyl)oxolan-3-amine

C5H9F2NO — CID 80610054

IUPAC3-(difluoromethyl)oxolan-3-amine
SMILESNC1(C(F)F)CCOC1
InChIInChI=1S/C5H9F2NO/c6-4(7)5(8)1-2-9-3-5/h4H,1-3,8H2
InChIKeyAUJNGMGNECLJCE-UHFFFAOYSA-N
MW137.13 g/mol
LogP0.37
Rot. Bonds1

About 3-(difluoromethyl)oxolan-3-amine

3-(difluoromethyl)oxolan-3-amine (PubChem CID 80610054) has the molecular formula C5H9F2NO and a molecular weight of 137.13 g/mol. Its IUPAC name is 3-(difluoromethyl)oxolan-3-amine.

Molecular Properties

Compound Name3-(difluoromethyl)oxolan-3-amine
PubChem CID80610054
Molecular FormulaC5H9F2NO
Molecular Weight137.13 g/mol
Exact Mass137.07
IUPAC Name3-(difluoromethyl)oxolan-3-amine
SMILESNC1(C(F)F)CCOC1
InChIInChI=1S/C5H9F2NO/c6-4(7)5(8)1-2-9-3-5/h4H,1-3,8H2
InChIKeyAUJNGMGNECLJCE-UHFFFAOYSA-N
XLogP0.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.13
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tetrahydro-3-(trifluoromethyl)-3-furanamine
CID 50989636
3-(Trifluoromethyl)oxolan-3-amine hydrochloride
CID 117697423
3-(Difluoromethyl)oxolan-3-amine hydrochloride
CID 165691862
3-Methyltetrahydrofuran-3-amine
CID 21054637
(S)-3-(Trifluoromethyl)tetrahydrofuran-3-amine
CID 52810912
(3R)-3-(trifluoromethyl)oxolan-3-amine
CID 52810913
2,2,3-Trifluorooxolan-3-amine
CID 150413952
(3R)-3-(1,1-difluoroethyl)oxolan-3-amine
CID 170063102
4,4-Difluoro-1-methoxy-2-methylbutan-2-amine
CID 170343957
2-Methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 62619962
1,1,1-Trifluoro-2-(methoxymethyl)butan-2-amine
CID 64395990
1-(2,2-Difluoroethoxy)-2-methylbutan-2-amine
CID 64573174

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)oxolan-3-amine?
The IUPAC name of 3-(difluoromethyl)oxolan-3-amine (CID 80610054) is 3-(difluoromethyl)oxolan-3-amine.
What is the SMILES notation for 3-(difluoromethyl)oxolan-3-amine?
The canonical SMILES for 3-(difluoromethyl)oxolan-3-amine is NC1(C(F)F)CCOC1.
What is the InChIKey of 3-(difluoromethyl)oxolan-3-amine?
The InChIKey is AUJNGMGNECLJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO/c6-4(7)5(8)1-2-9-3-5/h4H,1-3,8H2.
What are the key properties of 3-(difluoromethyl)oxolan-3-amine?
3-(difluoromethyl)oxolan-3-amine has a molecular weight of 137.13 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)oxolan-3-amine is sourced from PubChem (CID 80610054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).