(3S)-1-(4-chlorophenyl)-3-fluoropyrrolidine

C10H11ClFN — CID 166093392

IUPAC(3S)-1-(4-chlorophenyl)-3-fluoropyrrolidine
SMILESF[C@H]1CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C10H11ClFN/c11-8-1-3-10(4-2-8)13-6-5-9(12)7-13/h1-4,9H,5-7H2/t9-/m0/s1
InChIKeyXSDAHBNGERAGQH-VIFPVBQESA-N
MW199.66 g/mol
LogP2.89
Rot. Bonds1

About (3S)-1-(4-chlorophenyl)-3-fluoropyrrolidine

(3S)-1-(4-chlorophenyl)-3-fluoropyrrolidine (PubChem CID 166093392) has the molecular formula C10H11ClFN and a molecular weight of 199.66 g/mol. Its IUPAC name is (3S)-1-(4-chlorophenyl)-3-fluoropyrrolidine.

Molecular Properties

Compound Name(3S)-1-(4-chlorophenyl)-3-fluoropyrrolidine
PubChem CID166093392
Molecular FormulaC10H11ClFN
Molecular Weight199.66 g/mol
Exact Mass199.06
IUPAC Name(3S)-1-(4-chlorophenyl)-3-fluoropyrrolidine
SMILESF[C@H]1CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C10H11ClFN/c11-8-1-3-10(4-2-8)13-6-5-9(12)7-13/h1-4,9H,5-7H2/t9-/m0/s1
InChIKeyXSDAHBNGERAGQH-VIFPVBQESA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)pyrrolidine-3-carbonitrile
CID 67357061
2-[1-(4-chlorophenyl)pyrrolidin-3-yl]ethanol
CID 83981447
(3S,4R)-1-(4-chlorophenyl)pyrrolidine-3,4-diol
CID 95562583
(3S)-1-(3-chloro-4-nitrophenyl)-3-fluoropyrrolidine
CID 169450917
(3R)-1-[1-(4-chlorophenyl)piperidin-4-yl]pyrrolidin-3-amine
CID 126445475
3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine
CID 83981422
1-[1-(4-chlorophenyl)pyrrolidin-3-yl]butan-2-amine
CID 83981425
2-(4-chlorophenyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79939590
2,6-difluoro-4-[(3S)-3-fluoropyrrolidin-1-yl]aniline
CID 170761780
(3R)-1-(4-chlorophenyl)-N-methylpyrrolidine-3-carboxamide
CID 134288449
1-[1-(4-chlorophenyl)pyrrolidin-3-yl]butan-1-amine
CID 83981414
[4-(3-fluoropiperidin-1-yl)phenyl]methanamine
CID 83854012

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-chlorophenyl)-3-fluoropyrrolidine?
The IUPAC name of (3S)-1-(4-chlorophenyl)-3-fluoropyrrolidine (CID 166093392) is (3S)-1-(4-chlorophenyl)-3-fluoropyrrolidine.
What is the SMILES notation for (3S)-1-(4-chlorophenyl)-3-fluoropyrrolidine?
The canonical SMILES for (3S)-1-(4-chlorophenyl)-3-fluoropyrrolidine is F[C@H]1CCN(c2ccc(Cl)cc2)C1.
What is the InChIKey of (3S)-1-(4-chlorophenyl)-3-fluoropyrrolidine?
The InChIKey is XSDAHBNGERAGQH-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11ClFN/c11-8-1-3-10(4-2-8)13-6-5-9(12)7-13/h1-4,9H,5-7H2/t9-/m0/s1.
What are the key properties of (3S)-1-(4-chlorophenyl)-3-fluoropyrrolidine?
(3S)-1-(4-chlorophenyl)-3-fluoropyrrolidine has a molecular weight of 199.66 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-chlorophenyl)-3-fluoropyrrolidine is sourced from PubChem (CID 166093392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).