N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-3-carboxamide

C8H14F2N2O2 — CID 106176720

IUPACN-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC(F)(F)CO)C1CCNC1
InChIInChI=1S/C8H14F2N2O2/c9-8(10,5-13)4-12-7(14)6-1-2-11-3-6/h6,11,13H,1-5H2,(H,12,14)
InChIKeyMWESRLDLYVVAOL-UHFFFAOYSA-N
MW208.21 g/mol
LogP-0.66
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-3-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-3-carboxamide (PubChem CID 106176720) has the molecular formula C8H14F2N2O2 and a molecular weight of 208.21 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-3-carboxamide
PubChem CID106176720
Molecular FormulaC8H14F2N2O2
Molecular Weight208.21 g/mol
Exact Mass208.10
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC(F)(F)CO)C1CCNC1
InChIInChI=1S/C8H14F2N2O2/c9-8(10,5-13)4-12-7(14)6-1-2-11-3-6/h6,11,13H,1-5H2,(H,12,14)
InChIKeyMWESRLDLYVVAOL-UHFFFAOYSA-N
XLogP-0.66
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(2,2-difluoro-3-hydroxypropyl)piperidine-3-carboxamide
CID 106176675
N-(2-amino-2-methylpropyl)pyrrolidine-3-carboxamide
CID 83617629
N-(2,2-difluoro-3-hydroxypropyl)cyclohexanecarboxamide
CID 104858285
N-(2,2-difluoro-3-hydroxypropyl)-6-oxopiperidine-3-carboxamide
CID 104857784
N-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119781584
N-(2-hydroxy-2-methylbutyl)pyrrolidine-3-carboxamide
CID 65106728
2-hydroxy-2-methyl-3-(pyrrolidine-3-carbonylamino)propanoic acid
CID 66177040
N-(2-fluoroethyl)pyrrolidine-3-carboxamide
CID 76624204
N-(2-fluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 87325134
N-(2,2,3,3,3-pentafluoropropyl)piperidine-3-carboxamide
CID 162568495
3-hydroxy-3-methyl-4-(pyrrolidine-3-carbonylamino)butanoic acid
CID 66003959
N-(2,2-difluoro-3-hydroxypropyl)-2-piperidin-3-ylacetamide
CID 106176991

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-3-carboxamide (CID 106176720) is N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-3-carboxamide is O=C(NCC(F)(F)CO)C1CCNC1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-3-carboxamide?
The InChIKey is MWESRLDLYVVAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O2/c9-8(10,5-13)4-12-7(14)6-1-2-11-3-6/h6,11,13H,1-5H2,(H,12,14).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-3-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-3-carboxamide has a molecular weight of 208.21 g/mol, XLogP of -0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 106176720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).