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

C14H19ClFN — CID 138667866

IUPAC(3R)-3-(4-chloro-3-fluorophenyl)-1-methyl-4-propan-2-ylpyrrolidine
SMILESCC(C)C1CN(C)C[C@H]1c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H19ClFN/c1-9(2)11-7-17(3)8-12(11)10-4-5-13(15)14(16)6-10/h4-6,9,11-12H,7-8H2,1-3H3/t11?,12-/m0/s1
InChIKeyNABLRAORDSWWFX-KIYNQFGBSA-N
MW255.76 g/mol
LogP3.78
Rot. Bonds2

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

(3R)-3-(4-chloro-3-fluorophenyl)-1-methyl-4-propan-2-ylpyrrolidine (PubChem CID 138667866) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is (3R)-3-(4-chloro-3-fluorophenyl)-1-methyl-4-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(3R)-3-(4-chloro-3-fluorophenyl)-1-methyl-4-propan-2-ylpyrrolidine
PubChem CID138667866
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name(3R)-3-(4-chloro-3-fluorophenyl)-1-methyl-4-propan-2-ylpyrrolidine
SMILESCC(C)C1CN(C)C[C@H]1c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H19ClFN/c1-9(2)11-7-17(3)8-12(11)10-4-5-13(15)14(16)6-10/h4-6,9,11-12H,7-8H2,1-3H3/t11?,12-/m0/s1
InChIKeyNABLRAORDSWWFX-KIYNQFGBSA-N
XLogP3.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3S,4R)-4-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]formamide
CID 163703506
(4R)-4-(4-chlorophenyl)-1-methyl-3-propan-2-ylpiperidine
CID 70966986
(4S,5R)-4-amino-5-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-2-one
CID 95328761
4-[2-(bromomethyl)cyclopropyl]-1-chloro-2-fluorobenzene
CID 81350329
N-[4-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-(1,1-difluoropropan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 140687675
(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-3-amine
CID 124526744
4-(3,4-difluorophenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 134162457
1-chloro-4-(2,2-difluorocyclopropyl)-2-fluorobenzene
CID 166607377
(3R,4S)-4-(4-chloro-3-fluorophenoxy)-1-methylpyrrolidin-3-ol
CID 86705583
4-(3-fluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-amine
CID 82391825
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanamine
CID 43150348
(4R,5R)-4-amino-5-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-2-one
CID 95359014

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chloro-3-fluorophenyl)-1-methyl-4-propan-2-ylpyrrolidine?
The IUPAC name of (3R)-3-(4-chloro-3-fluorophenyl)-1-methyl-4-propan-2-ylpyrrolidine (CID 138667866) is (3R)-3-(4-chloro-3-fluorophenyl)-1-methyl-4-propan-2-ylpyrrolidine.
What is the SMILES notation for (3R)-3-(4-chloro-3-fluorophenyl)-1-methyl-4-propan-2-ylpyrrolidine?
The canonical SMILES for (3R)-3-(4-chloro-3-fluorophenyl)-1-methyl-4-propan-2-ylpyrrolidine is CC(C)C1CN(C)C[C@H]1c1ccc(Cl)c(F)c1.
What is the InChIKey of (3R)-3-(4-chloro-3-fluorophenyl)-1-methyl-4-propan-2-ylpyrrolidine?
The InChIKey is NABLRAORDSWWFX-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-9(2)11-7-17(3)8-12(11)10-4-5-13(15)14(16)6-10/h4-6,9,11-12H,7-8H2,1-3H3/t11?,12-/m0/s1.
What are the key properties of (3R)-3-(4-chloro-3-fluorophenyl)-1-methyl-4-propan-2-ylpyrrolidine?
(3R)-3-(4-chloro-3-fluorophenyl)-1-methyl-4-propan-2-ylpyrrolidine has a molecular weight of 255.76 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chloro-3-fluorophenyl)-1-methyl-4-propan-2-ylpyrrolidine is sourced from PubChem (CID 138667866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).