3-(2-fluoro-5-propan-2-ylphenyl)pyrrolidine

C13H18FN — CID 117296630

IUPAC3-(2-fluoro-5-propan-2-ylphenyl)pyrrolidine
SMILESCC(C)c1ccc(F)c(C2CCNC2)c1
InChIInChI=1S/C13H18FN/c1-9(2)10-3-4-13(14)12(7-10)11-5-6-15-8-11/h3-4,7,9,11,15H,5-6,8H2,1-2H3
InChIKeyGBLGMWSOJSATBL-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.03
Rot. Bonds2

About 3-(2-fluoro-5-propan-2-ylphenyl)pyrrolidine

3-(2-fluoro-5-propan-2-ylphenyl)pyrrolidine (PubChem CID 117296630) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 3-(2-fluoro-5-propan-2-ylphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(2-fluoro-5-propan-2-ylphenyl)pyrrolidine
PubChem CID117296630
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name3-(2-fluoro-5-propan-2-ylphenyl)pyrrolidine
SMILESCC(C)c1ccc(F)c(C2CCNC2)c1
InChIInChI=1S/C13H18FN/c1-9(2)10-3-4-13(14)12(7-10)11-5-6-15-8-11/h3-4,7,9,11,15H,5-6,8H2,1-2H3
InChIKeyGBLGMWSOJSATBL-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 ≤ 500207.29
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dimethyl-4-propan-2-yl-2-pyrrolidin-3-ylaniline
CID 117116687
3-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine
CID 83808419
4-(2,6-difluoro-4-propan-2-ylphenyl)piperidine
CID 130179117
3-(3-propan-2-ylphenyl)pyrrolidine
CID 58484109
3-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
CID 169498278
3-(3-bromo-2-methoxy-5-propan-2-ylphenyl)pyrrolidine
CID 117480582
4-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)piperidine
CID 117382003
3-(4-fluoro-2,5-dimethylphenyl)pyrrolidine
CID 84772856
3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)pyrrolidine
CID 117386417
3-(5-chloro-3-fluoro-2-methoxyphenyl)pyrrolidine
CID 117331486
3-fluoro-4-pyrrolidin-3-ylaniline
CID 22625736
3-(3-fluoro-2,5-dimethylphenyl)pyrrolidine
CID 84772855

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-propan-2-ylphenyl)pyrrolidine?
The IUPAC name of 3-(2-fluoro-5-propan-2-ylphenyl)pyrrolidine (CID 117296630) is 3-(2-fluoro-5-propan-2-ylphenyl)pyrrolidine.
What is the SMILES notation for 3-(2-fluoro-5-propan-2-ylphenyl)pyrrolidine?
The canonical SMILES for 3-(2-fluoro-5-propan-2-ylphenyl)pyrrolidine is CC(C)c1ccc(F)c(C2CCNC2)c1.
What is the InChIKey of 3-(2-fluoro-5-propan-2-ylphenyl)pyrrolidine?
The InChIKey is GBLGMWSOJSATBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-9(2)10-3-4-13(14)12(7-10)11-5-6-15-8-11/h3-4,7,9,11,15H,5-6,8H2,1-2H3.
What are the key properties of 3-(2-fluoro-5-propan-2-ylphenyl)pyrrolidine?
3-(2-fluoro-5-propan-2-ylphenyl)pyrrolidine has a molecular weight of 207.29 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 3-(2-fluoro-5-propan-2-ylphenyl)pyrrolidine is sourced from PubChem (CID 117296630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).