(3R)-3-(2,2-difluoroethoxy)pyrrolidine;hydrochloride

C6H12ClF2NO — CID 167737539

IUPAC(3R)-3-(2,2-difluoroethoxy)pyrrolidine;hydrochloride
SMILESCl.FC(F)CO[C@@H]1CCNC1
InChIInChI=1S/C6H11F2NO.ClH/c7-6(8)4-10-5-1-2-9-3-5;/h5-6,9H,1-4H2;1H/t5-;/m1./s1
InChIKeyMIFIUZKFCUUBSB-NUBCRITNSA-N
MW187.62 g/mol
LogP1.05
Rot. Bonds3

About (3R)-3-(2,2-difluoroethoxy)pyrrolidine;hydrochloride

(3R)-3-(2,2-difluoroethoxy)pyrrolidine;hydrochloride (PubChem CID 167737539) has the molecular formula C6H12ClF2NO and a molecular weight of 187.62 g/mol. Its IUPAC name is (3R)-3-(2,2-difluoroethoxy)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(3R)-3-(2,2-difluoroethoxy)pyrrolidine;hydrochloride
PubChem CID167737539
Molecular FormulaC6H12ClF2NO
Molecular Weight187.62 g/mol
Exact Mass187.06
IUPAC Name(3R)-3-(2,2-difluoroethoxy)pyrrolidine;hydrochloride
SMILESCl.FC(F)CO[C@@H]1CCNC1
InChIInChI=1S/C6H11F2NO.ClH/c7-6(8)4-10-5-1-2-9-3-5;/h5-6,9H,1-4H2;1H/t5-;/m1./s1
InChIKeyMIFIUZKFCUUBSB-NUBCRITNSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(1-Methylethoxy)pyrrolidine
CID 68339378
5-Methyl-2-(trifluoromethyl)-1,3-oxazolidine
CID 207924
(3S)-3-ethoxypyrrolidine
CID 11116030
(3R)-3-methoxypyrrolidine hydrochloride
CID 45789898
(S)-3-methoxypyrrolidine hydrochloride
CID 45789911
3-(Trifluoromethoxy)pyrrolidine hydrochloride
CID 75530505
4,4-Difluoropyrrolidin-3-ol hydrochloride
CID 89539070
(3R)-3-(difluoromethoxy)pyrrolidine
CID 97300413
(3S)-3-(difluoromethoxy)pyrrolidine
CID 97300414
(3S)-3-(trifluoromethoxy)pyrrolidine hydrochloride
CID 117588017
(3R)-3-(trifluoromethoxy)pyrrolidine hydrochloride
CID 117588051
rac-(3R,4R)-3-fluoro-4-methoxypyrrolidine hydrochloride
CID 119053418

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,2-difluoroethoxy)pyrrolidine;hydrochloride?
The IUPAC name of (3R)-3-(2,2-difluoroethoxy)pyrrolidine;hydrochloride (CID 167737539) is (3R)-3-(2,2-difluoroethoxy)pyrrolidine;hydrochloride.
What is the SMILES notation for (3R)-3-(2,2-difluoroethoxy)pyrrolidine;hydrochloride?
The canonical SMILES for (3R)-3-(2,2-difluoroethoxy)pyrrolidine;hydrochloride is Cl.FC(F)CO[C@@H]1CCNC1.
What is the InChIKey of (3R)-3-(2,2-difluoroethoxy)pyrrolidine;hydrochloride?
The InChIKey is MIFIUZKFCUUBSB-NUBCRITNSA-N. The full InChI is InChI=1S/C6H11F2NO.ClH/c7-6(8)4-10-5-1-2-9-3-5;/h5-6,9H,1-4H2;1H/t5-;/m1./s1.
What are the key properties of (3R)-3-(2,2-difluoroethoxy)pyrrolidine;hydrochloride?
(3R)-3-(2,2-difluoroethoxy)pyrrolidine;hydrochloride has a molecular weight of 187.62 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,2-difluoroethoxy)pyrrolidine;hydrochloride is sourced from PubChem (CID 167737539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).