(3R)-1-(2,2-difluoroethyl)-3-methoxypyrrolidine;hydrochloride

C7H14ClF2NO — CID 130670186

IUPAC(3R)-1-(2,2-difluoroethyl)-3-methoxypyrrolidine;hydrochloride
SMILESCO[C@@H]1CCN(CC(F)F)C1.Cl
InChIInChI=1S/C7H13F2NO.ClH/c1-11-6-2-3-10(4-6)5-7(8)9;/h6-7H,2-5H2,1H3;1H/t6-;/m1./s1
InChIKeyJIUAVTJZNVEQAR-FYZOBXCZSA-N
MW201.64 g/mol
LogP1.39
Rot. Bonds3

About (3R)-1-(2,2-difluoroethyl)-3-methoxypyrrolidine;hydrochloride

(3R)-1-(2,2-difluoroethyl)-3-methoxypyrrolidine;hydrochloride (PubChem CID 130670186) has the molecular formula C7H14ClF2NO and a molecular weight of 201.64 g/mol. Its IUPAC name is (3R)-1-(2,2-difluoroethyl)-3-methoxypyrrolidine;hydrochloride.

Molecular Properties

Compound Name(3R)-1-(2,2-difluoroethyl)-3-methoxypyrrolidine;hydrochloride
PubChem CID130670186
Molecular FormulaC7H14ClF2NO
Molecular Weight201.64 g/mol
Exact Mass201.07
IUPAC Name(3R)-1-(2,2-difluoroethyl)-3-methoxypyrrolidine;hydrochloride
SMILESCO[C@@H]1CCN(CC(F)F)C1.Cl
InChIInChI=1S/C7H13F2NO.ClH/c1-11-6-2-3-10(4-6)5-7(8)9;/h6-7H,2-5H2,1H3;1H/t6-;/m1./s1
InChIKeyJIUAVTJZNVEQAR-FYZOBXCZSA-N
XLogP1.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.64
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxypyrrolidin-1-yl)pentan-2-ol
CID 103537643
3-methoxy-1-(2-methoxyethyl)pyrrolidine;methyl hypofluorite
CID 170772093
1-(3-methoxypyrrolidin-1-yl)-N-methylbutan-2-amine
CID 103532310
2-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylbutane-1-thiol
CID 103541631
(3R)-1-(cyclopentylmethyl)-3-methoxypyrrolidine
CID 126986050
[(3R)-3-methoxypyrrolidin-1-yl]methyl-trimethylsilane;hydrochloride
CID 130670920
1-(3-methoxypyrrolidin-1-yl)-3-(2-methylpropylamino)propan-2-ol
CID 103532073
3-(3-methoxypyrrolidin-1-yl)-2-(methylamino)propanamide
CID 103538030
(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-amine
CID 79005005
3-chloro-1-(2,2-difluoroethyl)pyrrolidine
CID 63387384
1-(2,2-difluoroethyl)-3-ethylpyrrolidine;ethane
CID 169182399
5-(3-methoxypyrrolidin-1-yl)pentan-2-amine
CID 103532229

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,2-difluoroethyl)-3-methoxypyrrolidine;hydrochloride?
The IUPAC name of (3R)-1-(2,2-difluoroethyl)-3-methoxypyrrolidine;hydrochloride (CID 130670186) is (3R)-1-(2,2-difluoroethyl)-3-methoxypyrrolidine;hydrochloride.
What is the SMILES notation for (3R)-1-(2,2-difluoroethyl)-3-methoxypyrrolidine;hydrochloride?
The canonical SMILES for (3R)-1-(2,2-difluoroethyl)-3-methoxypyrrolidine;hydrochloride is CO[C@@H]1CCN(CC(F)F)C1.Cl.
What is the InChIKey of (3R)-1-(2,2-difluoroethyl)-3-methoxypyrrolidine;hydrochloride?
The InChIKey is JIUAVTJZNVEQAR-FYZOBXCZSA-N. The full InChI is InChI=1S/C7H13F2NO.ClH/c1-11-6-2-3-10(4-6)5-7(8)9;/h6-7H,2-5H2,1H3;1H/t6-;/m1./s1.
What are the key properties of (3R)-1-(2,2-difluoroethyl)-3-methoxypyrrolidine;hydrochloride?
(3R)-1-(2,2-difluoroethyl)-3-methoxypyrrolidine;hydrochloride has a molecular weight of 201.64 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,2-difluoroethyl)-3-methoxypyrrolidine;hydrochloride is sourced from PubChem (CID 130670186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).