2,2-difluoro-1-(oxolan-2-yl)ethanamine

C6H11F2NO — CID 80606054

IUPAC2,2-difluoro-1-(oxolan-2-yl)ethanamine
SMILESNC(C(F)F)C1CCCO1
InChIInChI=1S/C6H11F2NO/c7-6(8)5(9)4-2-1-3-10-4/h4-6H,1-3,9H2
InChIKeyJWQPOSZLHMATBG-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.76
Rot. Bonds2

About 2,2-difluoro-1-(oxolan-2-yl)ethanamine

2,2-difluoro-1-(oxolan-2-yl)ethanamine (PubChem CID 80606054) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is 2,2-difluoro-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-1-(oxolan-2-yl)ethanamine
PubChem CID80606054
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name2,2-difluoro-1-(oxolan-2-yl)ethanamine
SMILESNC(C(F)F)C1CCCO1
InChIInChI=1S/C6H11F2NO/c7-6(8)5(9)4-2-1-3-10-4/h4-6H,1-3,9H2
InChIKeyJWQPOSZLHMATBG-UHFFFAOYSA-N
XLogP0.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Oxolan-2-yl)ethan-1-amine
CID 21843661
2-Methoxy-1-(oxolan-2-yl)ethan-1-amine
CID 79574072
rac-(1R,2R)-2-(difluoromethoxy)cyclopentan-1-amine
CID 91663012
(4,4-Difluorooxolan-2-yl)methanamine hydrochloride
CID 132351232
1,1,1-Trifluoro-3-(oxolan-2-yl)propan-2-amine
CID 66465194
1-Tetrahydrofuran-2-ylethanamine hydrochloride
CID 75537284
1-(5-(Trifluoromethyl)oxolan-2-yl)methanamine hydrochloride
CID 132300823
(4,4-Difluorooxolan-2-yl)methanamine
CID 132351233
2,2,2-Trifluoro-1-(oxolan-2-yl)ethan-1-amine hydrochloride
CID 138110052
rac-(3R,5R)-5-(trifluoromethyl)oxolan-3-amine hydrochloride
CID 146082502
rac-(3R,5S)-5-(trifluoromethyl)oxolan-3-amine hydrochloride
CID 165995001
5-(Difluoromethyl)oxolan-3-amine hydrochloride
CID 167721348

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(oxolan-2-yl)ethanamine?
The IUPAC name of 2,2-difluoro-1-(oxolan-2-yl)ethanamine (CID 80606054) is 2,2-difluoro-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 2,2-difluoro-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for 2,2-difluoro-1-(oxolan-2-yl)ethanamine is NC(C(F)F)C1CCCO1.
What is the InChIKey of 2,2-difluoro-1-(oxolan-2-yl)ethanamine?
The InChIKey is JWQPOSZLHMATBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c7-6(8)5(9)4-2-1-3-10-4/h4-6H,1-3,9H2.
What are the key properties of 2,2-difluoro-1-(oxolan-2-yl)ethanamine?
2,2-difluoro-1-(oxolan-2-yl)ethanamine has a molecular weight of 151.16 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 80606054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).