N-(3,3-difluoro-2-hydroxypropyl)-3-pyrrolidin-3-ylpropanamide

C10H18F2N2O2 — CID 103859922

IUPACN-(3,3-difluoro-2-hydroxypropyl)-3-pyrrolidin-3-ylpropanamide
SMILESO=C(CCC1CCNC1)NCC(O)C(F)F
InChIInChI=1S/C10H18F2N2O2/c11-10(12)8(15)6-14-9(16)2-1-7-3-4-13-5-7/h7-8,10,13,15H,1-6H2,(H,14,16)
InChIKeyYAUCAOQADDMINT-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.12
Rot. Bonds6

About N-(3,3-difluoro-2-hydroxypropyl)-3-pyrrolidin-3-ylpropanamide

N-(3,3-difluoro-2-hydroxypropyl)-3-pyrrolidin-3-ylpropanamide (PubChem CID 103859922) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-3-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-3-pyrrolidin-3-ylpropanamide
PubChem CID103859922
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-3-pyrrolidin-3-ylpropanamide
SMILESO=C(CCC1CCNC1)NCC(O)C(F)F
InChIInChI=1S/C10H18F2N2O2/c11-10(12)8(15)6-14-9(16)2-1-7-3-4-13-5-7/h7-8,10,13,15H,1-6H2,(H,14,16)
InChIKeyYAUCAOQADDMINT-UHFFFAOYSA-N
XLogP0.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 103810588
(2S)-2-hydroxy-3-(3-piperidin-3-ylpropanoylamino)propanoic acid
CID 107835993
3-pyrrolidin-3-ylpropanoic acid
CID 12825648
N-[(1-propan-2-ylcyclopropyl)methyl]-3-pyrrolidin-3-ylpropanamide
CID 103859941
N-(3-propoxypropyl)-3-pyrrolidin-3-ylpropanamide
CID 82941656
2,2-dimethyl-3-(3-pyrrolidin-3-ylpropanoylamino)propanamide
CID 103859907
3-methyl-2-[(3-piperidin-4-ylpropanoylamino)methyl]butanoic acid
CID 65224381
N-(2-ethylsulfinylethyl)-3-pyrrolidin-3-ylpropanamide
CID 115774837
3-[(3R)-pyrrolidin-3-yl]propanamide
CID 174976551
N-but-3-en-2-yl-3-pyrrolidin-3-ylpropanamide
CID 115774843
N-methyl-2-pyrrolidin-3-ylethanesulfonamide
CID 115019215
2-fluoro-N-(pyrrolidin-3-ylmethyl)acetamide
CID 174605600

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-pyrrolidin-3-ylpropanamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-pyrrolidin-3-ylpropanamide (CID 103859922) is N-(3,3-difluoro-2-hydroxypropyl)-3-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-3-pyrrolidin-3-ylpropanamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-3-pyrrolidin-3-ylpropanamide is O=C(CCC1CCNC1)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-3-pyrrolidin-3-ylpropanamide?
The InChIKey is YAUCAOQADDMINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c11-10(12)8(15)6-14-9(16)2-1-7-3-4-13-5-7/h7-8,10,13,15H,1-6H2,(H,14,16).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-3-pyrrolidin-3-ylpropanamide?
N-(3,3-difluoro-2-hydroxypropyl)-3-pyrrolidin-3-ylpropanamide has a molecular weight of 236.26 g/mol, XLogP of 0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-3-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 103859922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).