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

C8H14F2N2O2 — CID 103810632

IUPACN-(3,3-difluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC(O)C(F)F)C1CCNC1
InChIInChI=1S/C8H14F2N2O2/c9-7(10)6(13)4-12-8(14)5-1-2-11-3-5/h5-7,11,13H,1-4H2,(H,12,14)
InChIKeyXTAPVWLIKBQKQR-UHFFFAOYSA-N
MW208.21 g/mol
LogP-0.66
Rot. Bonds4

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

N-(3,3-difluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide (PubChem CID 103810632) 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-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide
PubChem CID103810632
Molecular FormulaC8H14F2N2O2
Molecular Weight208.21 g/mol
Exact Mass208.10
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC(O)C(F)F)C1CCNC1
InChIInChI=1S/C8H14F2N2O2/c9-7(10)6(13)4-12-8(14)5-1-2-11-3-5/h5-7,11,13H,1-4H2,(H,12,14)
InChIKeyXTAPVWLIKBQKQR-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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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide (CID 103810632) is N-(3,3-difluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide is O=C(NCC(O)C(F)F)C1CCNC1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide?
The InChIKey is XTAPVWLIKBQKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O2/c9-7(10)6(13)4-12-8(14)5-1-2-11-3-5/h5-7,11,13H,1-4H2,(H,12,14).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide?
N-(3,3-difluoro-2-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-(3,3-difluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 103810632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).