(3R,4S)-3-(4-fluorophenyl)-4-methyl-1-propan-2-ylpyrrolidine

C14H20FN — CID 58601309

IUPAC(3R,4S)-3-(4-fluorophenyl)-4-methyl-1-propan-2-ylpyrrolidine
SMILESCC(C)N1C[C@@H](C)[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C14H20FN/c1-10(2)16-8-11(3)14(9-16)12-4-6-13(15)7-5-12/h4-7,10-11,14H,8-9H2,1-3H3/t11-,14-/m1/s1
InChIKeyGKMWZLGIJKCGOP-BXUZGUMPSA-N
MW221.32 g/mol
LogP3.27
Rot. Bonds2

About (3R,4S)-3-(4-fluorophenyl)-4-methyl-1-propan-2-ylpyrrolidine

(3R,4S)-3-(4-fluorophenyl)-4-methyl-1-propan-2-ylpyrrolidine (PubChem CID 58601309) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is (3R,4S)-3-(4-fluorophenyl)-4-methyl-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(3R,4S)-3-(4-fluorophenyl)-4-methyl-1-propan-2-ylpyrrolidine
PubChem CID58601309
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name(3R,4S)-3-(4-fluorophenyl)-4-methyl-1-propan-2-ylpyrrolidine
SMILESCC(C)N1C[C@@H](C)[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C14H20FN/c1-10(2)16-8-11(3)14(9-16)12-4-6-13(15)7-5-12/h4-7,10-11,14H,8-9H2,1-3H3/t11-,14-/m1/s1
InChIKeyGKMWZLGIJKCGOP-BXUZGUMPSA-N
XLogP3.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S,4R)-4-(4-fluorophenyl)-1-propan-2-ylpyrrolidine-3-carboxylic acid;hydrochloride
CID 138628333
3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine
CID 71041197
(3S)-3-(4-fluorophenyl)-1-propan-2-ylpyrrolidine
CID 166826823
3,4-dimethyl-1-propan-2-ylpyrrolidine
CID 20737893
(4S)-3-(4-fluorophenyl)-4-methylpyrrolidine
CID 58606790
3-(4-fluorophenyl)-4-methylthiolane
CID 134946475
(1S)-1-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]ethanamine
CID 28912438
4-(4-fluorophenyl)-2-methyl-8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one
CID 67986626
1-[1-(4-fluorophenyl)ethyl]-3-methylpiperidin-4-amine
CID 54975955
1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]azetidine
CID 166468953
3,5-dimethyl-1,4-di(propan-2-yl)piperidine
CID 171506139
1-[1-(4-fluorophenyl)ethyl]-4-propan-2-ylpiperazine
CID 174450752

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(4-fluorophenyl)-4-methyl-1-propan-2-ylpyrrolidine?
The IUPAC name of (3R,4S)-3-(4-fluorophenyl)-4-methyl-1-propan-2-ylpyrrolidine (CID 58601309) is (3R,4S)-3-(4-fluorophenyl)-4-methyl-1-propan-2-ylpyrrolidine.
What is the SMILES notation for (3R,4S)-3-(4-fluorophenyl)-4-methyl-1-propan-2-ylpyrrolidine?
The canonical SMILES for (3R,4S)-3-(4-fluorophenyl)-4-methyl-1-propan-2-ylpyrrolidine is CC(C)N1C[C@@H](C)[C@H](c2ccc(F)cc2)C1.
What is the InChIKey of (3R,4S)-3-(4-fluorophenyl)-4-methyl-1-propan-2-ylpyrrolidine?
The InChIKey is GKMWZLGIJKCGOP-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H20FN/c1-10(2)16-8-11(3)14(9-16)12-4-6-13(15)7-5-12/h4-7,10-11,14H,8-9H2,1-3H3/t11-,14-/m1/s1.
What are the key properties of (3R,4S)-3-(4-fluorophenyl)-4-methyl-1-propan-2-ylpyrrolidine?
(3R,4S)-3-(4-fluorophenyl)-4-methyl-1-propan-2-ylpyrrolidine has a molecular weight of 221.32 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(4-fluorophenyl)-4-methyl-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 58601309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).