3-(3-chloro-2-fluorophenyl)-4-methylpyrrolidine

C11H13ClFN — CID 130874669

IUPAC3-(3-chloro-2-fluorophenyl)-4-methylpyrrolidine
SMILESCC1CNCC1c1cccc(Cl)c1F
InChIInChI=1S/C11H13ClFN/c1-7-5-14-6-9(7)8-3-2-4-10(12)11(8)13/h2-4,7,9,14H,5-6H2,1H3
InChIKeyFMSVYXSCRGCOBJ-UHFFFAOYSA-N
MW213.68 g/mol
LogP2.80
Rot. Bonds1

About 3-(3-chloro-2-fluorophenyl)-4-methylpyrrolidine

3-(3-chloro-2-fluorophenyl)-4-methylpyrrolidine (PubChem CID 130874669) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is 3-(3-chloro-2-fluorophenyl)-4-methylpyrrolidine.

Molecular Properties

Compound Name3-(3-chloro-2-fluorophenyl)-4-methylpyrrolidine
PubChem CID130874669
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name3-(3-chloro-2-fluorophenyl)-4-methylpyrrolidine
SMILESCC1CNCC1c1cccc(Cl)c1F
InChIInChI=1S/C11H13ClFN/c1-7-5-14-6-9(7)8-3-2-4-10(12)11(8)13/h2-4,7,9,14H,5-6H2,1H3
InChIKeyFMSVYXSCRGCOBJ-UHFFFAOYSA-N
XLogP2.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-(3-chloro-2-fluorophenyl)-2,2,8-trimethyl-5-azaspiro[3.4]octane
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4-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)piperidine
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(3S)-3-(3-chloro-2-fluorophenyl)pyrrolidine
CID 131096637
2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazolidine
CID 114488647
N-[(2E,4Z)-4-chloro-5-fluorohepta-2,4,6-trien-2-yl]formamide;(3S,4S)-3-(3-chloro-2-fluorophenyl)-4-methylpyrrolidine;2,2-dimethylpropane;N-propylformamide
CID 143648513
2-tert-butyl-4-(3-chloro-2-fluorophenyl)pyrrolidin-3-amine
CID 129059415
4-(2,3-difluoro-4-methylphenyl)-3-methylpiperidine
CID 107514264
2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazinane
CID 114488651
(4S)-3-(4-fluorophenyl)-4-methylpyrrolidine
CID 58606790
(3-chloro-2-fluorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 81265442
3-[4-(3-chloro-2-fluorophenyl)-3-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-ol
CID 129059515
1-[2-(3-chloro-2-fluorophenyl)cyclopropyl]-N-methylmethanamine
CID 114488832

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-fluorophenyl)-4-methylpyrrolidine?
The IUPAC name of 3-(3-chloro-2-fluorophenyl)-4-methylpyrrolidine (CID 130874669) is 3-(3-chloro-2-fluorophenyl)-4-methylpyrrolidine.
What is the SMILES notation for 3-(3-chloro-2-fluorophenyl)-4-methylpyrrolidine?
The canonical SMILES for 3-(3-chloro-2-fluorophenyl)-4-methylpyrrolidine is CC1CNCC1c1cccc(Cl)c1F.
What is the InChIKey of 3-(3-chloro-2-fluorophenyl)-4-methylpyrrolidine?
The InChIKey is FMSVYXSCRGCOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c1-7-5-14-6-9(7)8-3-2-4-10(12)11(8)13/h2-4,7,9,14H,5-6H2,1H3.
What are the key properties of 3-(3-chloro-2-fluorophenyl)-4-methylpyrrolidine?
3-(3-chloro-2-fluorophenyl)-4-methylpyrrolidine has a molecular weight of 213.68 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-fluorophenyl)-4-methylpyrrolidine is sourced from PubChem (CID 130874669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).