2-(fluoromethyl)-1-[4-(1-methoxyethyl)phenyl]pyrrolidine

C14H20FNO — CID 145467315

IUPAC2-(fluoromethyl)-1-[4-(1-methoxyethyl)phenyl]pyrrolidine
SMILESCOC(C)c1ccc(N2CCCC2CF)cc1
InChIInChI=1S/C14H20FNO/c1-11(17-2)12-5-7-13(8-6-12)16-9-3-4-14(16)10-15/h5-8,11,14H,3-4,9-10H2,1-2H3
InChIKeyDWZZKPWCAKSQNK-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.33
Rot. Bonds4

About 2-(fluoromethyl)-1-[4-(1-methoxyethyl)phenyl]pyrrolidine

2-(fluoromethyl)-1-[4-(1-methoxyethyl)phenyl]pyrrolidine (PubChem CID 145467315) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-(fluoromethyl)-1-[4-(1-methoxyethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name2-(fluoromethyl)-1-[4-(1-methoxyethyl)phenyl]pyrrolidine
PubChem CID145467315
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-(fluoromethyl)-1-[4-(1-methoxyethyl)phenyl]pyrrolidine
SMILESCOC(C)c1ccc(N2CCCC2CF)cc1
InChIInChI=1S/C14H20FNO/c1-11(17-2)12-5-7-13(8-6-12)16-9-3-4-14(16)10-15/h5-8,11,14H,3-4,9-10H2,1-2H3
InChIKeyDWZZKPWCAKSQNK-UHFFFAOYSA-N
XLogP3.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-2-(fluoromethyl)pyrrolidine
CID 71066531
2-[1-(4-propan-2-ylphenyl)pyrrolidin-2-yl]acetic acid
CID 117028588
3-[1-[4-(1-hydroxyethyl)phenyl]pyrrolidin-2-yl]propan-1-ol
CID 62467233
(1S)-1-[4-(2-ethylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 114066064
2-(2-methylpropyl)-1-phenylpyrrolidine
CID 11241145
2-[1-(4-propan-2-yloxyphenyl)pyrrolidin-2-yl]ethanamine
CID 117028629
5-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile
CID 129487722
2-[1-[4-[(2-methoxyphenyl)-(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]acetic acid
CID 58218676
2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]ethanol
CID 117028550
(1S)-1-[4-(2-ethylpiperidin-1-yl)phenyl]propan-1-amine
CID 114066011
4-(2-ethylpyrrolidin-1-yl)aniline
CID 60973731
2-ethyl-1-(4-methylphenyl)piperidine
CID 90712958

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-1-[4-(1-methoxyethyl)phenyl]pyrrolidine?
The IUPAC name of 2-(fluoromethyl)-1-[4-(1-methoxyethyl)phenyl]pyrrolidine (CID 145467315) is 2-(fluoromethyl)-1-[4-(1-methoxyethyl)phenyl]pyrrolidine.
What is the SMILES notation for 2-(fluoromethyl)-1-[4-(1-methoxyethyl)phenyl]pyrrolidine?
The canonical SMILES for 2-(fluoromethyl)-1-[4-(1-methoxyethyl)phenyl]pyrrolidine is COC(C)c1ccc(N2CCCC2CF)cc1.
What is the InChIKey of 2-(fluoromethyl)-1-[4-(1-methoxyethyl)phenyl]pyrrolidine?
The InChIKey is DWZZKPWCAKSQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-11(17-2)12-5-7-13(8-6-12)16-9-3-4-14(16)10-15/h5-8,11,14H,3-4,9-10H2,1-2H3.
What are the key properties of 2-(fluoromethyl)-1-[4-(1-methoxyethyl)phenyl]pyrrolidine?
2-(fluoromethyl)-1-[4-(1-methoxyethyl)phenyl]pyrrolidine has a molecular weight of 237.32 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-1-[4-(1-methoxyethyl)phenyl]pyrrolidine is sourced from PubChem (CID 145467315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).