N-(3,3-difluoro-2-hydroxypropyl)pyrrolidine-1-carboxamide

C8H14F2N2O2 — CID 103731763

IUPACN-(3,3-difluoro-2-hydroxypropyl)pyrrolidine-1-carboxamide
SMILESO=C(NCC(O)C(F)F)N1CCCC1
InChIInChI=1S/C8H14F2N2O2/c9-7(10)6(13)5-11-8(14)12-3-1-2-4-12/h6-7,13H,1-5H2,(H,11,14)
InChIKeyMKMLCFWJPKLSOP-UHFFFAOYSA-N
MW208.21 g/mol
LogP0.42
Rot. Bonds3

About N-(3,3-difluoro-2-hydroxypropyl)pyrrolidine-1-carboxamide

N-(3,3-difluoro-2-hydroxypropyl)pyrrolidine-1-carboxamide (PubChem CID 103731763) has the molecular formula C8H14F2N2O2 and a molecular weight of 208.21 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)pyrrolidine-1-carboxamide
PubChem CID103731763
Molecular FormulaC8H14F2N2O2
Molecular Weight208.21 g/mol
Exact Mass208.10
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)pyrrolidine-1-carboxamide
SMILESO=C(NCC(O)C(F)F)N1CCCC1
InChIInChI=1S/C8H14F2N2O2/c9-7(10)6(13)5-11-8(14)12-3-1-2-4-12/h6-7,13H,1-5H2,(H,11,14)
InChIKeyMKMLCFWJPKLSOP-UHFFFAOYSA-N
XLogP0.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 57489401
N-(3,4-dihydroxypyrrolidin-2-yl)-2,2,2-trifluoro-N-methylacetamide
CID 87524500
2,2,2-trifluoro-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]acetamide
CID 87799914
(3R,4R)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-carboxamide
CID 122536269
(3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-carboxamide
CID 122536272
(3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide
CID 138583447
(3R,4R)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide
CID 138583552
1-(2-Hydroxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 49117434
1-Methyl-3-propan-2-yl-1-(3,3,3-trifluoro-2-hydroxypropyl)urea
CID 75443358
1,1-Dimethyl-3-[2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]urea
CID 83121670
1-methyl-3-propan-2-yl-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]urea
CID 97257521
1-methyl-3-propan-2-yl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea
CID 97257522

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)pyrrolidine-1-carboxamide (CID 103731763) is N-(3,3-difluoro-2-hydroxypropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)pyrrolidine-1-carboxamide is O=C(NCC(O)C(F)F)N1CCCC1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)pyrrolidine-1-carboxamide?
The InChIKey is MKMLCFWJPKLSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O2/c9-7(10)6(13)5-11-8(14)12-3-1-2-4-12/h6-7,13H,1-5H2,(H,11,14).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)pyrrolidine-1-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)pyrrolidine-1-carboxamide has a molecular weight of 208.21 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 103731763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).