(2S)-2-(difluoromethoxymethyl)pyrrolidine;hydrochloride

C6H12ClF2NO — CID 155819918

IUPAC(2S)-2-(difluoromethoxymethyl)pyrrolidine;hydrochloride
SMILESCl.FC(F)OC[C@@H]1CCCN1
InChIInChI=1S/C6H11F2NO.ClH/c7-6(8)10-4-5-2-1-3-9-5;/h5-6,9H,1-4H2;1H/t5-;/m0./s1
InChIKeyDWXUAKBWGJJYCT-JEDNCBNOSA-N
MW187.62 g/mol
LogP1.40
Rot. Bonds3

About (2S)-2-(difluoromethoxymethyl)pyrrolidine;hydrochloride

(2S)-2-(difluoromethoxymethyl)pyrrolidine;hydrochloride (PubChem CID 155819918) has the molecular formula C6H12ClF2NO and a molecular weight of 187.62 g/mol. Its IUPAC name is (2S)-2-(difluoromethoxymethyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(difluoromethoxymethyl)pyrrolidine;hydrochloride
PubChem CID155819918
Molecular FormulaC6H12ClF2NO
Molecular Weight187.62 g/mol
Exact Mass187.06
IUPAC Name(2S)-2-(difluoromethoxymethyl)pyrrolidine;hydrochloride
SMILESCl.FC(F)OC[C@@H]1CCCN1
InChIInChI=1S/C6H11F2NO.ClH/c7-6(8)10-4-5-2-1-3-9-5;/h5-6,9H,1-4H2;1H/t5-;/m0./s1
InChIKeyDWXUAKBWGJJYCT-JEDNCBNOSA-N
XLogP1.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.62
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Methoxymethyl)pyrrolidine
CID 143953
(S)-(+)-2-(Methoxymethyl)pyrrolidine
CID 671217
(2R)-2-(Methoxymethyl)pyrrolidine
CID 671216
(2R)-2-(methoxymethyl)pyrrolidine hydrochloride
CID 71642899
(2S)-2-(methoxymethyl)pyrrolidine hydrochloride
CID 71741490
2-(Methoxymethyl)pyrrolidine hydrochloride
CID 71755371
((2R)-4,4-difluoropyrrolidin-2-yl)methanol hydrochloride
CID 72207690
(S)-(4,4-Difluoropyrrolidin-2-yl)methanol hydrochloride
CID 74890069
(4,4-Difluoropyrrolidin-2-yl)methanol hydrochloride
CID 75481674
2-((Difluoromethoxy)methyl)pyrrolidine
CID 114782795
(2R)-2-((trifluoromethoxy)methyl)pyrrolidine hydrochloride
CID 91926302
(2R)-2-[(difluoromethoxy)methyl]pyrrolidine hydrochloride
CID 155820019

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(difluoromethoxymethyl)pyrrolidine;hydrochloride?
The IUPAC name of (2S)-2-(difluoromethoxymethyl)pyrrolidine;hydrochloride (CID 155819918) is (2S)-2-(difluoromethoxymethyl)pyrrolidine;hydrochloride.
What is the SMILES notation for (2S)-2-(difluoromethoxymethyl)pyrrolidine;hydrochloride?
The canonical SMILES for (2S)-2-(difluoromethoxymethyl)pyrrolidine;hydrochloride is Cl.FC(F)OC[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-(difluoromethoxymethyl)pyrrolidine;hydrochloride?
The InChIKey is DWXUAKBWGJJYCT-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H11F2NO.ClH/c7-6(8)10-4-5-2-1-3-9-5;/h5-6,9H,1-4H2;1H/t5-;/m0./s1.
What are the key properties of (2S)-2-(difluoromethoxymethyl)pyrrolidine;hydrochloride?
(2S)-2-(difluoromethoxymethyl)pyrrolidine;hydrochloride has a molecular weight of 187.62 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(difluoromethoxymethyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 155819918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).