3-[4-fluoro-2-(methoxymethyl)phenyl]pyrrolidine

C12H16FNO — CID 117299003

IUPAC3-[4-fluoro-2-(methoxymethyl)phenyl]pyrrolidine
SMILESCOCc1cc(F)ccc1C1CCNC1
InChIInChI=1S/C12H16FNO/c1-15-8-10-6-11(13)2-3-12(10)9-4-5-14-7-9/h2-3,6,9,14H,4-5,7-8H2,1H3
InChIKeyMRQRTFRRSNEDGD-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.05
Rot. Bonds3

About 3-[4-fluoro-2-(methoxymethyl)phenyl]pyrrolidine

3-[4-fluoro-2-(methoxymethyl)phenyl]pyrrolidine (PubChem CID 117299003) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 3-[4-fluoro-2-(methoxymethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name3-[4-fluoro-2-(methoxymethyl)phenyl]pyrrolidine
PubChem CID117299003
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name3-[4-fluoro-2-(methoxymethyl)phenyl]pyrrolidine
SMILESCOCc1cc(F)ccc1C1CCNC1
InChIInChI=1S/C12H16FNO/c1-15-8-10-6-11(13)2-3-12(10)9-4-5-14-7-9/h2-3,6,9,14H,4-5,7-8H2,1H3
InChIKeyMRQRTFRRSNEDGD-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2,3-dimethoxy-4-(methoxymethyl)phenyl]pyrrolidine
CID 117381710
3-(methoxymethyl)-4-piperidin-4-ylaniline
CID 166120409
3-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]pyrrolidine
CID 117351158
5-fluoro-2-[(3S)-pyrrolidin-3-yl]phenol
CID 96744761
3-(5-fluoro-2-methylphenyl)pyrrolidine;hydrochloride
CID 169498179
(3R)-3-(2-chloro-5-fluorophenyl)pyrrolidine
CID 96760582
3-(2-chloro-5-fluorophenyl)pyrrolidine
CID 82607556
5-fluoro-2-pyrrolidin-3-ylbenzaldehyde
CID 117283556
3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]piperidine
CID 117417688
3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine
CID 117323606
3-(2-methoxy-4-methylsulfanylphenyl)pyrrolidine
CID 117320772
1-cyclopropyl-4-iodo-2-(methoxymethyl)benzene;hydroiodide
CID 68767832

Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-2-(methoxymethyl)phenyl]pyrrolidine?
The IUPAC name of 3-[4-fluoro-2-(methoxymethyl)phenyl]pyrrolidine (CID 117299003) is 3-[4-fluoro-2-(methoxymethyl)phenyl]pyrrolidine.
What is the SMILES notation for 3-[4-fluoro-2-(methoxymethyl)phenyl]pyrrolidine?
The canonical SMILES for 3-[4-fluoro-2-(methoxymethyl)phenyl]pyrrolidine is COCc1cc(F)ccc1C1CCNC1.
What is the InChIKey of 3-[4-fluoro-2-(methoxymethyl)phenyl]pyrrolidine?
The InChIKey is MRQRTFRRSNEDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-15-8-10-6-11(13)2-3-12(10)9-4-5-14-7-9/h2-3,6,9,14H,4-5,7-8H2,1H3.
What are the key properties of 3-[4-fluoro-2-(methoxymethyl)phenyl]pyrrolidine?
3-[4-fluoro-2-(methoxymethyl)phenyl]pyrrolidine has a molecular weight of 209.26 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-2-(methoxymethyl)phenyl]pyrrolidine is sourced from PubChem (CID 117299003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).