methyl 2,2-difluoro-2-(3-hydroxypyrrolidin-3-yl)acetate

C7H11F2NO3 — CID 131412933

IUPACmethyl 2,2-difluoro-2-(3-hydroxypyrrolidin-3-yl)acetate
SMILESCOC(=O)C(F)(F)C1(O)CCNC1
InChIInChI=1S/C7H11F2NO3/c1-13-5(11)7(8,9)6(12)2-3-10-4-6/h10,12H,2-4H2,1H3
InChIKeyYFWSJXCZLLFKRO-UHFFFAOYSA-N
MW195.16 g/mol
LogP-0.48
Rot. Bonds2

About methyl 2,2-difluoro-2-(3-hydroxypyrrolidin-3-yl)acetate

methyl 2,2-difluoro-2-(3-hydroxypyrrolidin-3-yl)acetate (PubChem CID 131412933) has the molecular formula C7H11F2NO3 and a molecular weight of 195.16 g/mol. Its IUPAC name is methyl 2,2-difluoro-2-(3-hydroxypyrrolidin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2,2-difluoro-2-(3-hydroxypyrrolidin-3-yl)acetate
PubChem CID131412933
Molecular FormulaC7H11F2NO3
Molecular Weight195.16 g/mol
Exact Mass195.07
IUPAC Namemethyl 2,2-difluoro-2-(3-hydroxypyrrolidin-3-yl)acetate
SMILESCOC(=O)C(F)(F)C1(O)CCNC1
InChIInChI=1S/C7H11F2NO3/c1-13-5(11)7(8,9)6(12)2-3-10-4-6/h10,12H,2-4H2,1H3
InChIKeyYFWSJXCZLLFKRO-UHFFFAOYSA-N
XLogP-0.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate
CID 131065671
ethane;3-(trifluoromethyl)pyrrolidin-3-ol
CID 170646332
methyl 2-methyl-2-[(3-methylpyrrolidine-3-carbonyl)amino]propanoate
CID 63139390
(3S)-3-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 129321060
tert-butyl N-[(3S)-3-(trifluoromethyl)pyrrolidin-3-yl]carbamate
CID 92825862
3-(trichloromethyl)pyrrolidin-3-ol;hydrochloride
CID 154577165
methyl (3S)-3-methylpyrrolidine-3-carboxylate
CID 95020716
3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119726405
N-(cyclopropylmethyl)-3-methylpyrrolidine-3-carboxamide
CID 63140909
N-ethyl-3-fluoropyrrolidine-3-carboxamide;hydrochloride
CID 130629041
2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanenitrile
CID 79130079
N-(cyclohexylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708236

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-difluoro-2-(3-hydroxypyrrolidin-3-yl)acetate?
The IUPAC name of methyl 2,2-difluoro-2-(3-hydroxypyrrolidin-3-yl)acetate (CID 131412933) is methyl 2,2-difluoro-2-(3-hydroxypyrrolidin-3-yl)acetate.
What is the SMILES notation for methyl 2,2-difluoro-2-(3-hydroxypyrrolidin-3-yl)acetate?
The canonical SMILES for methyl 2,2-difluoro-2-(3-hydroxypyrrolidin-3-yl)acetate is COC(=O)C(F)(F)C1(O)CCNC1.
What is the InChIKey of methyl 2,2-difluoro-2-(3-hydroxypyrrolidin-3-yl)acetate?
The InChIKey is YFWSJXCZLLFKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO3/c1-13-5(11)7(8,9)6(12)2-3-10-4-6/h10,12H,2-4H2,1H3.
What are the key properties of methyl 2,2-difluoro-2-(3-hydroxypyrrolidin-3-yl)acetate?
methyl 2,2-difluoro-2-(3-hydroxypyrrolidin-3-yl)acetate has a molecular weight of 195.16 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-difluoro-2-(3-hydroxypyrrolidin-3-yl)acetate is sourced from PubChem (CID 131412933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).