2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]pyrrolidine

C12H15F2N — CID 84678483

IUPAC2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]pyrrolidine
SMILESCc1cc(C2CCCN2)cc(F)c1CF
InChIInChI=1S/C12H15F2N/c1-8-5-9(12-3-2-4-15-12)6-11(14)10(8)7-13/h5-6,12,15H,2-4,7H2,1H3
InChIKeySKGAJNQWURVYOM-UHFFFAOYSA-N
MW211.25 g/mol
LogP3.03
Rot. Bonds2

About 2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]pyrrolidine

2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]pyrrolidine (PubChem CID 84678483) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is 2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]pyrrolidine.

Molecular Properties

Compound Name2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]pyrrolidine
PubChem CID84678483
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]pyrrolidine
SMILESCc1cc(C2CCCN2)cc(F)c1CF
InChIInChI=1S/C12H15F2N/c1-8-5-9(12-3-2-4-15-12)6-11(14)10(8)7-13/h5-6,12,15H,2-4,7H2,1H3
InChIKeySKGAJNQWURVYOM-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-4,5-difluorophenyl)pyrrolidine
CID 117409353
2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine
CID 77131566
2-(4-tert-butyl-3,5-difluorophenyl)pyrrolidine
CID 170256865
(2R)-2-(4-methoxy-3,5-dimethylphenyl)pyrrolidine
CID 66518898
(2S)-2-(5-fluoro-3,4-dihydro-2H-chromen-7-yl)pyrrolidine
CID 66519323
3-fluoro-5-[(2R)-pyrrolidin-2-yl]aniline
CID 130614762
3-methyl-5-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 55274525
2-(3,4-difluoro-5-methoxyphenyl)pyrrolidine;hydrochloride
CID 146049321
2-(3-fluoro-5-methylphenyl)piperidine
CID 55297533
(2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)pyrrolidine
CID 131358748
2-fluoro-3-methyl-5-[(2S)-piperidin-2-yl]pyridine
CID 55276215
2-fluoro-6-methoxy-4-pyrrolidin-2-ylphenol
CID 77131485

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]pyrrolidine?
The IUPAC name of 2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]pyrrolidine (CID 84678483) is 2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]pyrrolidine.
What is the SMILES notation for 2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]pyrrolidine?
The canonical SMILES for 2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]pyrrolidine is Cc1cc(C2CCCN2)cc(F)c1CF.
What is the InChIKey of 2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]pyrrolidine?
The InChIKey is SKGAJNQWURVYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c1-8-5-9(12-3-2-4-15-12)6-11(14)10(8)7-13/h5-6,12,15H,2-4,7H2,1H3.
What are the key properties of 2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]pyrrolidine?
2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]pyrrolidine has a molecular weight of 211.25 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]pyrrolidine is sourced from PubChem (CID 84678483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).