(3-fluoro-4-methylphenyl)-pyrrolidin-3-ylmethanone

C12H14FNO — CID 107129727

IUPAC(3-fluoro-4-methylphenyl)-pyrrolidin-3-ylmethanone
SMILESCc1ccc(C(=O)C2CCNC2)cc1F
InChIInChI=1S/C12H14FNO/c1-8-2-3-9(6-11(8)13)12(15)10-4-5-14-7-10/h2-3,6,10,14H,4-5,7H2,1H3
InChIKeyLKKPBIGCRHIIIK-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.93
Rot. Bonds2

About (3-fluoro-4-methylphenyl)-pyrrolidin-3-ylmethanone

(3-fluoro-4-methylphenyl)-pyrrolidin-3-ylmethanone (PubChem CID 107129727) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-pyrrolidin-3-ylmethanone
PubChem CID107129727
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name(3-fluoro-4-methylphenyl)-pyrrolidin-3-ylmethanone
SMILESCc1ccc(C(=O)C2CCNC2)cc1F
InChIInChI=1S/C12H14FNO/c1-8-2-3-9(6-11(8)13)12(15)10-4-5-14-7-10/h2-3,6,10,14H,4-5,7H2,1H3
InChIKeyLKKPBIGCRHIIIK-UHFFFAOYSA-N
XLogP1.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568282
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 119704149
(3-fluoro-4-methylphenyl)-(oxan-4-yl)methanone
CID 63935252
[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 119282090
3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63622867
(3-bromo-4-fluorophenyl)-piperidin-3-ylmethanone
CID 79736726
(4-chloro-3-methylphenyl)-piperidin-3-ylmethanone
CID 82341467
(3-fluoro-4-methylphenyl)-(oxan-3-yl)methanone
CID 107128324
pyrrolidin-3-yl-(2,4,5-trimethylphenyl)methanone
CID 116568229
(4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanone
CID 83689928
methyl 4-[(3R)-pyrrolidine-3-carbonyl]benzoate
CID 99934590
(4-bromo-3-methylphenyl)-piperidin-4-ylmethanone
CID 82553719

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-pyrrolidin-3-ylmethanone?
The IUPAC name of (3-fluoro-4-methylphenyl)-pyrrolidin-3-ylmethanone (CID 107129727) is (3-fluoro-4-methylphenyl)-pyrrolidin-3-ylmethanone.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-pyrrolidin-3-ylmethanone?
The canonical SMILES for (3-fluoro-4-methylphenyl)-pyrrolidin-3-ylmethanone is Cc1ccc(C(=O)C2CCNC2)cc1F.
What is the InChIKey of (3-fluoro-4-methylphenyl)-pyrrolidin-3-ylmethanone?
The InChIKey is LKKPBIGCRHIIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-8-2-3-9(6-11(8)13)12(15)10-4-5-14-7-10/h2-3,6,10,14H,4-5,7H2,1H3.
What are the key properties of (3-fluoro-4-methylphenyl)-pyrrolidin-3-ylmethanone?
(3-fluoro-4-methylphenyl)-pyrrolidin-3-ylmethanone has a molecular weight of 207.25 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 107129727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).