(2S)-4-butyl-4-fluoropyrrolidine-2-carboxamide

C9H17FN2O — CID 153177317

IUPAC(2S)-4-butyl-4-fluoropyrrolidine-2-carboxamide
SMILESCCCCC1(F)CN[C@H](C(N)=O)C1
InChIInChI=1S/C9H17FN2O/c1-2-3-4-9(10)5-7(8(11)13)12-6-9/h7,12H,2-6H2,1H3,(H2,11,13)/t7-,9?/m0/s1
InChIKeyWFLISONYUKIWQT-JAVCKPHESA-N
MW188.25 g/mol
LogP0.73
Rot. Bonds4

About (2S)-4-butyl-4-fluoropyrrolidine-2-carboxamide

(2S)-4-butyl-4-fluoropyrrolidine-2-carboxamide (PubChem CID 153177317) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is (2S)-4-butyl-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-butyl-4-fluoropyrrolidine-2-carboxamide
PubChem CID153177317
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name(2S)-4-butyl-4-fluoropyrrolidine-2-carboxamide
SMILESCCCCC1(F)CN[C@H](C(N)=O)C1
InChIInChI=1S/C9H17FN2O/c1-2-3-4-9(10)5-7(8(11)13)12-6-9/h7,12H,2-6H2,1H3,(H2,11,13)/t7-,9?/m0/s1
InChIKeyWFLISONYUKIWQT-JAVCKPHESA-N
XLogP0.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-4-fluoro-4-propylpyrrolidin-2-yl]ethanone
CID 142989381
4-butyl-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-4-fluoropyrrolidine-2-carboxamide
CID 58840517
4-butyl-N-[2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-4-fluoropyrrolidine-2-carboxamide
CID 72773011
3-butyl-3-fluoroazetidine
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CID 174871460
2-ethylbutyl 6-butyl-6-fluoro-2,3,4,4a,5,7,8,8a-octahydro-1H-isoquinoline-3-carboxylate
CID 168971458
3-butyl-3-fluoropyrrolidine
CID 112564219
1-butylcyclohexane-1-carboxamide
CID 57018178
(2S,4R)-4-hexylpiperidine-2-carboxamide
CID 142863438
1-butylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 69426440
(2S)-4,4-di(hexadecanoyl)pyrrolidine-2-carboxylic acid
CID 174845565
1,3-dibutyl-5-pentyladamantane;propan-2-one
CID 178033195

Frequently Asked Questions

What is the IUPAC name of (2S)-4-butyl-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of (2S)-4-butyl-4-fluoropyrrolidine-2-carboxamide (CID 153177317) is (2S)-4-butyl-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-4-butyl-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-4-butyl-4-fluoropyrrolidine-2-carboxamide is CCCCC1(F)CN[C@H](C(N)=O)C1.
What is the InChIKey of (2S)-4-butyl-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is WFLISONYUKIWQT-JAVCKPHESA-N. The full InChI is InChI=1S/C9H17FN2O/c1-2-3-4-9(10)5-7(8(11)13)12-6-9/h7,12H,2-6H2,1H3,(H2,11,13)/t7-,9?/m0/s1.
What are the key properties of (2S)-4-butyl-4-fluoropyrrolidine-2-carboxamide?
(2S)-4-butyl-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 188.25 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-butyl-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 153177317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).