3-[(2-chloro-6-fluoro-3-methylphenyl)methyl]pyrrolidine

C12H15ClFN — CID 84791855

IUPAC3-[(2-chloro-6-fluoro-3-methylphenyl)methyl]pyrrolidine
SMILESCc1ccc(F)c(CC2CCNC2)c1Cl
InChIInChI=1S/C12H15ClFN/c1-8-2-3-11(14)10(12(8)13)6-9-4-5-15-7-9/h2-3,9,15H,4-7H2,1H3
InChIKeyNGVPNNQAKCGPLC-UHFFFAOYSA-N
MW227.71 g/mol
LogP2.94
Rot. Bonds2

About 3-[(2-chloro-6-fluoro-3-methylphenyl)methyl]pyrrolidine

3-[(2-chloro-6-fluoro-3-methylphenyl)methyl]pyrrolidine (PubChem CID 84791855) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluoro-3-methylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-[(2-chloro-6-fluoro-3-methylphenyl)methyl]pyrrolidine
PubChem CID84791855
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name3-[(2-chloro-6-fluoro-3-methylphenyl)methyl]pyrrolidine
SMILESCc1ccc(F)c(CC2CCNC2)c1Cl
InChIInChI=1S/C12H15ClFN/c1-8-2-3-11(14)10(12(8)13)6-9-4-5-15-7-9/h2-3,9,15H,4-7H2,1H3
InChIKeyNGVPNNQAKCGPLC-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2,6-difluoro-3-methylphenyl)methyl]piperidine
CID 82823243
2-chloro-3-methyl-6-(pyrrolidin-3-ylmethyl)phenol
CID 84790581
3-[(4-chloro-2-methylphenyl)methyl]pyrrolidine
CID 83688595
3-[(2,6-difluoro-3-methoxyphenyl)methyl]pyrrolidine
CID 84791339
3-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 84783122
3-[(2-chloro-3-methoxy-4-methylphenyl)methyl]pyrrolidine
CID 84800053
3-[(4-chloro-2,6-difluorophenyl)methyl]piperidine
CID 84802944
3-fluoro-4-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84789130
4-[(3-chloro-6-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398054
4-[(5-chloro-2-methylphenyl)methyl]piperidine
CID 84688935
4-[(6-bromo-2-fluoro-3-methylphenyl)methyl]piperidine
CID 84813696
4-[(3-chloro-2,6-dimethylphenyl)methyl]piperidine
CID 84798988

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluoro-3-methylphenyl)methyl]pyrrolidine?
The IUPAC name of 3-[(2-chloro-6-fluoro-3-methylphenyl)methyl]pyrrolidine (CID 84791855) is 3-[(2-chloro-6-fluoro-3-methylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 3-[(2-chloro-6-fluoro-3-methylphenyl)methyl]pyrrolidine?
The canonical SMILES for 3-[(2-chloro-6-fluoro-3-methylphenyl)methyl]pyrrolidine is Cc1ccc(F)c(CC2CCNC2)c1Cl.
What is the InChIKey of 3-[(2-chloro-6-fluoro-3-methylphenyl)methyl]pyrrolidine?
The InChIKey is NGVPNNQAKCGPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c1-8-2-3-11(14)10(12(8)13)6-9-4-5-15-7-9/h2-3,9,15H,4-7H2,1H3.
What are the key properties of 3-[(2-chloro-6-fluoro-3-methylphenyl)methyl]pyrrolidine?
3-[(2-chloro-6-fluoro-3-methylphenyl)methyl]pyrrolidine has a molecular weight of 227.71 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluoro-3-methylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 84791855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).