(3R)-3-(4-ethylphenyl)-3-fluoropyrrolidine

C12H16FN — CID 124547144

IUPAC(3R)-3-(4-ethylphenyl)-3-fluoropyrrolidine
SMILESCCc1ccc([C@]2(F)CCNC2)cc1
InChIInChI=1S/C12H16FN/c1-2-10-3-5-11(6-4-10)12(13)7-8-14-9-12/h3-6,14H,2,7-9H2,1H3/t12-/m0/s1
InChIKeyBGPXMKFQNBAYEU-LBPRGKRZSA-N
MW193.26 g/mol
LogP2.41
Rot. Bonds2

About (3R)-3-(4-ethylphenyl)-3-fluoropyrrolidine

(3R)-3-(4-ethylphenyl)-3-fluoropyrrolidine (PubChem CID 124547144) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is (3R)-3-(4-ethylphenyl)-3-fluoropyrrolidine.

Molecular Properties

Compound Name(3R)-3-(4-ethylphenyl)-3-fluoropyrrolidine
PubChem CID124547144
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name(3R)-3-(4-ethylphenyl)-3-fluoropyrrolidine
SMILESCCc1ccc([C@]2(F)CCNC2)cc1
InChIInChI=1S/C12H16FN/c1-2-10-3-5-11(6-4-10)12(13)7-8-14-9-12/h3-6,14H,2,7-9H2,1H3/t12-/m0/s1
InChIKeyBGPXMKFQNBAYEU-LBPRGKRZSA-N
XLogP2.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-(4-ethylphenyl)-3-fluoropyrrolidine
CID 124547145
3-(3,4-diethoxyphenyl)-3-fluoropyrrolidine
CID 112564446
2-[4-(4-fluoropiperidin-4-yl)phenyl]ethanamine
CID 84725143
3-fluoro-3-(4-propoxyphenyl)piperidine
CID 112562960
1-ethyl-4-(3-fluoropyrrolidin-3-yl)pyrazole
CID 112564397
3-fluoro-3-(3-fluoro-4-methoxyphenyl)pyrrolidine
CID 112564332
4-fluoro-4-(4-fluorophenyl)piperidine;hydrochloride
CID 67540826
2-(4-ethylphenyl)-2-methylaziridine
CID 82467898
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluoropyrrolidine
CID 83822992
3-(3,5-dichlorophenyl)-3-fluoropyrrolidine
CID 25143664
(3R)-3-fluoro-3-(3-methoxyphenyl)pyrrolidine
CID 124547155
1,4-diethylbenzene;ethane
CID 91207141

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-ethylphenyl)-3-fluoropyrrolidine?
The IUPAC name of (3R)-3-(4-ethylphenyl)-3-fluoropyrrolidine (CID 124547144) is (3R)-3-(4-ethylphenyl)-3-fluoropyrrolidine.
What is the SMILES notation for (3R)-3-(4-ethylphenyl)-3-fluoropyrrolidine?
The canonical SMILES for (3R)-3-(4-ethylphenyl)-3-fluoropyrrolidine is CCc1ccc([C@]2(F)CCNC2)cc1.
What is the InChIKey of (3R)-3-(4-ethylphenyl)-3-fluoropyrrolidine?
The InChIKey is BGPXMKFQNBAYEU-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16FN/c1-2-10-3-5-11(6-4-10)12(13)7-8-14-9-12/h3-6,14H,2,7-9H2,1H3/t12-/m0/s1.
What are the key properties of (3R)-3-(4-ethylphenyl)-3-fluoropyrrolidine?
(3R)-3-(4-ethylphenyl)-3-fluoropyrrolidine has a molecular weight of 193.26 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-ethylphenyl)-3-fluoropyrrolidine is sourced from PubChem (CID 124547144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).