4-(difluoromethyl)-2-(4-ethylphenyl)pyrrolidine

C13H17F2N — CID 176842061

IUPAC4-(difluoromethyl)-2-(4-ethylphenyl)pyrrolidine
SMILESCCc1ccc(C2CC(C(F)F)CN2)cc1
InChIInChI=1S/C13H17F2N/c1-2-9-3-5-10(6-4-9)12-7-11(8-16-12)13(14)15/h3-6,11-13,16H,2,7-8H2,1H3
InChIKeyKKJUDKYVTSZVAN-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.16
Rot. Bonds3

About 4-(difluoromethyl)-2-(4-ethylphenyl)pyrrolidine

4-(difluoromethyl)-2-(4-ethylphenyl)pyrrolidine (PubChem CID 176842061) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-(4-ethylphenyl)pyrrolidine.

Molecular Properties

Compound Name4-(difluoromethyl)-2-(4-ethylphenyl)pyrrolidine
PubChem CID176842061
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name4-(difluoromethyl)-2-(4-ethylphenyl)pyrrolidine
SMILESCCc1ccc(C2CC(C(F)F)CN2)cc1
InChIInChI=1S/C13H17F2N/c1-2-9-3-5-10(6-4-9)12-7-11(8-16-12)13(14)15/h3-6,11-13,16H,2,7-8H2,1H3
InChIKeyKKJUDKYVTSZVAN-UHFFFAOYSA-N
XLogP3.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-ethylphenyl)piperazine
CID 45036830
[6-(4-ethylphenyl)piperidin-3-yl]methanol
CID 117000409
2-(4-ethylphenyl)-N-methylpiperidin-4-amine
CID 117000329
(2S)-2-(4-propylphenyl)aziridine
CID 55263865
2-(4-ethylphenyl)-N,N-dimethylpiperidin-4-amine
CID 117000299
(3S,4S)-3-(4-ethylphenyl)-4-(fluoromethyl)pyrrolidine
CID 129493276
(3R,5R)-5-[4-(methylaminomethyl)phenyl]pyrrolidin-3-ol;dihydrochloride
CID 70264436
1-(2-chlorocyclopropyl)-4-ethylbenzene
CID 154973164
1-(4-ethylphenyl)-2-methyl-5-phenylpiperazine
CID 64931217
[4-(difluoromethyl)piperidin-1-yl]-(4-ethylphenyl)methanone
CID 118929982
5-(3-ethyl-4-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 117346736
1-ethyl-4-(4-ethylphenyl)imidazolidin-2-one
CID 116980946

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-(4-ethylphenyl)pyrrolidine?
The IUPAC name of 4-(difluoromethyl)-2-(4-ethylphenyl)pyrrolidine (CID 176842061) is 4-(difluoromethyl)-2-(4-ethylphenyl)pyrrolidine.
What is the SMILES notation for 4-(difluoromethyl)-2-(4-ethylphenyl)pyrrolidine?
The canonical SMILES for 4-(difluoromethyl)-2-(4-ethylphenyl)pyrrolidine is CCc1ccc(C2CC(C(F)F)CN2)cc1.
What is the InChIKey of 4-(difluoromethyl)-2-(4-ethylphenyl)pyrrolidine?
The InChIKey is KKJUDKYVTSZVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-2-9-3-5-10(6-4-9)12-7-11(8-16-12)13(14)15/h3-6,11-13,16H,2,7-8H2,1H3.
What are the key properties of 4-(difluoromethyl)-2-(4-ethylphenyl)pyrrolidine?
4-(difluoromethyl)-2-(4-ethylphenyl)pyrrolidine has a molecular weight of 225.28 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-(4-ethylphenyl)pyrrolidine is sourced from PubChem (CID 176842061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).