1-[(2-chloro-6-fluorophenyl)methyl]-3-propan-2-ylpyrrolidine

C14H19ClFN — CID 66806906

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-3-propan-2-ylpyrrolidine
SMILESCC(C)C1CCN(Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C14H19ClFN/c1-10(2)11-6-7-17(8-11)9-12-13(15)4-3-5-14(12)16/h3-5,10-11H,6-9H2,1-2H3
InChIKeyYCBWKYYENKDHIK-UHFFFAOYSA-N
MW255.76 g/mol
LogP3.96
Rot. Bonds3

About 1-[(2-chloro-6-fluorophenyl)methyl]-3-propan-2-ylpyrrolidine

1-[(2-chloro-6-fluorophenyl)methyl]-3-propan-2-ylpyrrolidine (PubChem CID 66806906) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-3-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-3-propan-2-ylpyrrolidine
PubChem CID66806906
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-3-propan-2-ylpyrrolidine
SMILESCC(C)C1CCN(Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C14H19ClFN/c1-10(2)11-6-7-17(8-11)9-12-13(15)4-3-5-14(12)16/h3-5,10-11H,6-9H2,1-2H3
InChIKeyYCBWKYYENKDHIK-UHFFFAOYSA-N
XLogP3.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-3-propan-2-ylpyrrolidine?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-3-propan-2-ylpyrrolidine (CID 66806906) is 1-[(2-chloro-6-fluorophenyl)methyl]-3-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-3-propan-2-ylpyrrolidine?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-3-propan-2-ylpyrrolidine is CC(C)C1CCN(Cc2c(F)cccc2Cl)C1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-3-propan-2-ylpyrrolidine?
The InChIKey is YCBWKYYENKDHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-10(2)11-6-7-17(8-11)9-12-13(15)4-3-5-14(12)16/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-3-propan-2-ylpyrrolidine?
1-[(2-chloro-6-fluorophenyl)methyl]-3-propan-2-ylpyrrolidine has a molecular weight of 255.76 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-3-propan-2-ylpyrrolidine is sourced from PubChem (CID 66806906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).