N-(2-fluoroethyl)pyrrolidine-3-carboxamide

C7H13FN2O — CID 76624204

IUPACN-(2-fluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCF)C1CCNC1
InChIInChI=1S/C7H13FN2O/c8-2-4-10-7(11)6-1-3-9-5-6/h6,9H,1-5H2,(H,10,11)
InChIKeyXPAVNDKBZTZUBA-UHFFFAOYSA-N
MW160.19 g/mol
LogP-0.32
Rot. Bonds3

About N-(2-fluoroethyl)pyrrolidine-3-carboxamide

N-(2-fluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 76624204) has the molecular formula C7H13FN2O and a molecular weight of 160.19 g/mol. Its IUPAC name is N-(2-fluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)pyrrolidine-3-carboxamide
PubChem CID76624204
Molecular FormulaC7H13FN2O
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC NameN-(2-fluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCF)C1CCNC1
InChIInChI=1S/C7H13FN2O/c8-2-4-10-7(11)6-1-3-9-5-6/h6,9H,1-5H2,(H,10,11)
InChIKeyXPAVNDKBZTZUBA-UHFFFAOYSA-N
XLogP-0.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 87325134
N-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119781584
N-(5-amino-5-oxopentyl)pyrrolidine-3-carboxamide
CID 106235636
(3S)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 165429633
(3R)-N-(azetidin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 131181581
N-tetradecylpyrrolidine-3-carboxamide;hydrochloride
CID 154586688
7-(pyrrolidine-3-carbonylamino)heptanoic acid
CID 63005734
N-hex-5-ynylpyrrolidine-3-carboxamide
CID 106213094
N-[2-(cycloheptylamino)ethyl]pyrrolidine-3-carboxamide
CID 122080782
N-pent-3-ynylpyrrolidine-3-carboxamide
CID 116644143
N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide
CID 63827244
N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-3-carboxamide
CID 106176720

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-fluoroethyl)pyrrolidine-3-carboxamide (CID 76624204) is N-(2-fluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)pyrrolidine-3-carboxamide is O=C(NCCF)C1CCNC1.
What is the InChIKey of N-(2-fluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is XPAVNDKBZTZUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2O/c8-2-4-10-7(11)6-1-3-9-5-6/h6,9H,1-5H2,(H,10,11).
What are the key properties of N-(2-fluoroethyl)pyrrolidine-3-carboxamide?
N-(2-fluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 160.19 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 76624204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).