1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]pyrrolidine

C15H22FN — CID 59139896

IUPAC1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]pyrrolidine
SMILESCC(C)(C)Cc1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C15H22FN/c1-15(2,3)11-12-6-7-14(13(16)10-12)17-8-4-5-9-17/h6-7,10H,4-5,8-9,11H2,1-3H3
InChIKeyFFVYVXNPPQDRRF-UHFFFAOYSA-N
MW235.35 g/mol
LogP4.01
Rot. Bonds2

About 1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]pyrrolidine

1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]pyrrolidine (PubChem CID 59139896) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]pyrrolidine.

Molecular Properties

Compound Name1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]pyrrolidine
PubChem CID59139896
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]pyrrolidine
SMILESCC(C)(C)Cc1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C15H22FN/c1-15(2,3)11-12-6-7-14(13(16)10-12)17-8-4-5-9-17/h6-7,10H,4-5,8-9,11H2,1-3H3
InChIKeyFFVYVXNPPQDRRF-UHFFFAOYSA-N
XLogP4.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]pyrrolidine?
The IUPAC name of 1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]pyrrolidine (CID 59139896) is 1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]pyrrolidine.
What is the SMILES notation for 1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]pyrrolidine?
The canonical SMILES for 1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]pyrrolidine is CC(C)(C)Cc1ccc(N2CCCC2)c(F)c1.
What is the InChIKey of 1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]pyrrolidine?
The InChIKey is FFVYVXNPPQDRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-15(2,3)11-12-6-7-14(13(16)10-12)17-8-4-5-9-17/h6-7,10H,4-5,8-9,11H2,1-3H3.
What are the key properties of 1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]pyrrolidine?
1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]pyrrolidine has a molecular weight of 235.35 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]pyrrolidine is sourced from PubChem (CID 59139896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).