(2-cyclopropylpyrrolidin-1-yl)-(4-fluorophenyl)methanone

C14H16FNO — CID 110871773

IUPAC(2-cyclopropylpyrrolidin-1-yl)-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC1C1CC1
InChIInChI=1S/C14H16FNO/c15-12-7-5-11(6-8-12)14(17)16-9-1-2-13(16)10-3-4-10/h5-8,10,13H,1-4,9H2
InChIKeyFVBBTZBCFRZWNM-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.84
Rot. Bonds2

About (2-cyclopropylpyrrolidin-1-yl)-(4-fluorophenyl)methanone

(2-cyclopropylpyrrolidin-1-yl)-(4-fluorophenyl)methanone (PubChem CID 110871773) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is (2-cyclopropylpyrrolidin-1-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(2-cyclopropylpyrrolidin-1-yl)-(4-fluorophenyl)methanone
PubChem CID110871773
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name(2-cyclopropylpyrrolidin-1-yl)-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC1C1CC1
InChIInChI=1S/C14H16FNO/c15-12-7-5-11(6-8-12)14(17)16-9-1-2-13(16)10-3-4-10/h5-8,10,13H,1-4,9H2
InChIKeyFVBBTZBCFRZWNM-UHFFFAOYSA-N
XLogP2.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2S)-2-cyclobutylpyrrolidine-1-carbonyl]benzoic acid
CID 124701022
N-[4-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]phenyl]-2-(4-fluorophenyl)acetamide
CID 58707786
[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 95312023
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(4-aminophenyl)methanone
CID 90935623
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-sulfanylphenyl)methanone
CID 107031199
1-[4-[(2S)-2-cyclopentylpyrrolidine-1-carbonyl]phenyl]ethanone
CID 95334900
[2-(bromomethyl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 74554951
4-[(2S)-2-(oxan-4-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 129470732
[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(4-fluorophenyl)methanone
CID 124652211
N-[5-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-2-pyridinyl]-4-fluorobenzamide
CID 58707812
(2-cyclopentylpyrrolidin-1-yl)-(4-fluoro-3-sulfanylphenyl)methanone
CID 107027342
(2-cyclopentylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone
CID 63978793

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylpyrrolidin-1-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (2-cyclopropylpyrrolidin-1-yl)-(4-fluorophenyl)methanone (CID 110871773) is (2-cyclopropylpyrrolidin-1-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (2-cyclopropylpyrrolidin-1-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (2-cyclopropylpyrrolidin-1-yl)-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCCC1C1CC1.
What is the InChIKey of (2-cyclopropylpyrrolidin-1-yl)-(4-fluorophenyl)methanone?
The InChIKey is FVBBTZBCFRZWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c15-12-7-5-11(6-8-12)14(17)16-9-1-2-13(16)10-3-4-10/h5-8,10,13H,1-4,9H2.
What are the key properties of (2-cyclopropylpyrrolidin-1-yl)-(4-fluorophenyl)methanone?
(2-cyclopropylpyrrolidin-1-yl)-(4-fluorophenyl)methanone has a molecular weight of 233.29 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylpyrrolidin-1-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 110871773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).