3-[3-(3,3-difluoropropoxy)phenyl]pyrrolidine

C13H17F2NO — CID 84702599

IUPAC3-[3-(3,3-difluoropropoxy)phenyl]pyrrolidine
SMILESFC(F)CCOc1cccc(C2CCNC2)c1
InChIInChI=1S/C13H17F2NO/c14-13(15)5-7-17-12-3-1-2-10(8-12)11-4-6-16-9-11/h1-3,8,11,13,16H,4-7,9H2
InChIKeyCGFGOJFCULMARD-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.80
Rot. Bonds5

About 3-[3-(3,3-difluoropropoxy)phenyl]pyrrolidine

3-[3-(3,3-difluoropropoxy)phenyl]pyrrolidine (PubChem CID 84702599) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 3-[3-(3,3-difluoropropoxy)phenyl]pyrrolidine.

Molecular Properties

Compound Name3-[3-(3,3-difluoropropoxy)phenyl]pyrrolidine
PubChem CID84702599
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name3-[3-(3,3-difluoropropoxy)phenyl]pyrrolidine
SMILESFC(F)CCOc1cccc(C2CCNC2)c1
InChIInChI=1S/C13H17F2NO/c14-13(15)5-7-17-12-3-1-2-10(8-12)11-4-6-16-9-11/h1-3,8,11,13,16H,4-7,9H2
InChIKeyCGFGOJFCULMARD-UHFFFAOYSA-N
XLogP2.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-ethoxyphenyl)pyrrolidine
CID 62064360
3-(3-ethoxyphenyl)pyrrolidine;hydrochloride
CID 169498382
3-[3-(2-fluoroethoxy)phenyl]piperidine
CID 84688599
3-(3-pyrrolidin-3-ylphenoxy)propanoic acid
CID 115040765
3-(3-butoxyphenyl)azetidine
CID 174622804
5-methyl-2-phenyl-4-[2-[3-[(3R)-pyrrolidin-3-yl]phenoxy]ethyl]-1,3-oxazole
CID 142849494
2-(3-piperidin-3-ylphenoxy)acetic acid
CID 115040761
(3S)-3-(3-ethylphenyl)pyrrolidine
CID 130943916
3-[3-(thian-3-yloxy)phenyl]pyrrolidine
CID 117413808
(3-piperidin-3-ylphenoxy)phosphane
CID 144633040
4-[3-[2-[(3-fluorophenyl)methoxy]ethoxy]phenyl]piperidine
CID 91292775
3-[3-(1,2-dimethoxyethyl)phenyl]pyrrolidine
CID 117343023

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,3-difluoropropoxy)phenyl]pyrrolidine?
The IUPAC name of 3-[3-(3,3-difluoropropoxy)phenyl]pyrrolidine (CID 84702599) is 3-[3-(3,3-difluoropropoxy)phenyl]pyrrolidine.
What is the SMILES notation for 3-[3-(3,3-difluoropropoxy)phenyl]pyrrolidine?
The canonical SMILES for 3-[3-(3,3-difluoropropoxy)phenyl]pyrrolidine is FC(F)CCOc1cccc(C2CCNC2)c1.
What is the InChIKey of 3-[3-(3,3-difluoropropoxy)phenyl]pyrrolidine?
The InChIKey is CGFGOJFCULMARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c14-13(15)5-7-17-12-3-1-2-10(8-12)11-4-6-16-9-11/h1-3,8,11,13,16H,4-7,9H2.
What are the key properties of 3-[3-(3,3-difluoropropoxy)phenyl]pyrrolidine?
3-[3-(3,3-difluoropropoxy)phenyl]pyrrolidine has a molecular weight of 241.28 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,3-difluoropropoxy)phenyl]pyrrolidine is sourced from PubChem (CID 84702599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).