(3R)-1-(2-tert-butylphenyl)-3-fluoropyrrolidine

C14H20FN — CID 134316893

IUPAC(3R)-1-(2-tert-butylphenyl)-3-fluoropyrrolidine
SMILESCC(C)(C)c1ccccc1N1CC[C@@H](F)C1
InChIInChI=1S/C14H20FN/c1-14(2,3)12-6-4-5-7-13(12)16-9-8-11(15)10-16/h4-7,11H,8-10H2,1-3H3/t11-/m1/s1
InChIKeyGKKWAJWNJHCADR-LLVKDONJSA-N
MW221.32 g/mol
LogP3.53
Rot. Bonds1

About (3R)-1-(2-tert-butylphenyl)-3-fluoropyrrolidine

(3R)-1-(2-tert-butylphenyl)-3-fluoropyrrolidine (PubChem CID 134316893) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is (3R)-1-(2-tert-butylphenyl)-3-fluoropyrrolidine.

Molecular Properties

Compound Name(3R)-1-(2-tert-butylphenyl)-3-fluoropyrrolidine
PubChem CID134316893
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name(3R)-1-(2-tert-butylphenyl)-3-fluoropyrrolidine
SMILESCC(C)(C)c1ccccc1N1CC[C@@H](F)C1
InChIInChI=1S/C14H20FN/c1-14(2,3)12-6-4-5-7-13(12)16-9-8-11(15)10-16/h4-7,11H,8-10H2,1-3H3/t11-/m1/s1
InChIKeyGKKWAJWNJHCADR-LLVKDONJSA-N
XLogP3.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine
CID 122436156
(3R)-1-[2-tert-butyl-4-[1-(2-tert-butylphenyl)piperidin-4-yl]phenyl]pyrrolidin-3-amine
CID 134319175
1,3-bis(2-tert-butylphenyl)imidazolidine;hydrochloride
CID 173045672
1-(2-tert-butylphenyl)piperidine-4-carboxamide
CID 117008321
N-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 43315016
4-(2-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide
CID 59865822
1-(2-tert-butylphenyl)-3-fluoro-3-methylpyrrolidine
CID 167663037
1-[1-(2-tert-butylphenyl)-2-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 117022687
N-ethyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 43315015
CID 175472927
CID 175472927
1-(2-tert-butylphenyl)aziridine-2-carbonitrile
CID 117009817
[4-(2-tert-butylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 66792715

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-tert-butylphenyl)-3-fluoropyrrolidine?
The IUPAC name of (3R)-1-(2-tert-butylphenyl)-3-fluoropyrrolidine (CID 134316893) is (3R)-1-(2-tert-butylphenyl)-3-fluoropyrrolidine.
What is the SMILES notation for (3R)-1-(2-tert-butylphenyl)-3-fluoropyrrolidine?
The canonical SMILES for (3R)-1-(2-tert-butylphenyl)-3-fluoropyrrolidine is CC(C)(C)c1ccccc1N1CC[C@@H](F)C1.
What is the InChIKey of (3R)-1-(2-tert-butylphenyl)-3-fluoropyrrolidine?
The InChIKey is GKKWAJWNJHCADR-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20FN/c1-14(2,3)12-6-4-5-7-13(12)16-9-8-11(15)10-16/h4-7,11H,8-10H2,1-3H3/t11-/m1/s1.
What are the key properties of (3R)-1-(2-tert-butylphenyl)-3-fluoropyrrolidine?
(3R)-1-(2-tert-butylphenyl)-3-fluoropyrrolidine has a molecular weight of 221.32 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-tert-butylphenyl)-3-fluoropyrrolidine is sourced from PubChem (CID 134316893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).