(3S)-3-[(1S)-1-(3,5-difluoro-4-methoxyphenoxy)propyl]pyrrolidine

C14H19F2NO2 — CID 66892314

IUPAC(3S)-3-[(1S)-1-(3,5-difluoro-4-methoxyphenoxy)propyl]pyrrolidine
SMILESCC[C@H](Oc1cc(F)c(OC)c(F)c1)[C@H]1CCNC1
InChIInChI=1S/C14H19F2NO2/c1-3-13(9-4-5-17-8-9)19-10-6-11(15)14(18-2)12(16)7-10/h6-7,9,13,17H,3-5,8H2,1-2H3/t9-,13-/m0/s1
InChIKeyZFNMDEQUVMODFI-ZANVPECISA-N
MW271.31 g/mol
LogP2.74
Rot. Bonds5

About (3S)-3-[(1S)-1-(3,5-difluoro-4-methoxyphenoxy)propyl]pyrrolidine

(3S)-3-[(1S)-1-(3,5-difluoro-4-methoxyphenoxy)propyl]pyrrolidine (PubChem CID 66892314) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is (3S)-3-[(1S)-1-(3,5-difluoro-4-methoxyphenoxy)propyl]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-[(1S)-1-(3,5-difluoro-4-methoxyphenoxy)propyl]pyrrolidine
PubChem CID66892314
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name(3S)-3-[(1S)-1-(3,5-difluoro-4-methoxyphenoxy)propyl]pyrrolidine
SMILESCC[C@H](Oc1cc(F)c(OC)c(F)c1)[C@H]1CCNC1
InChIInChI=1S/C14H19F2NO2/c1-3-13(9-4-5-17-8-9)19-10-6-11(15)14(18-2)12(16)7-10/h6-7,9,13,17H,3-5,8H2,1-2H3/t9-,13-/m0/s1
InChIKeyZFNMDEQUVMODFI-ZANVPECISA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1S)-1-(4-chloro-2,6-difluorophenoxy)propyl]pyrrolidine
CID 66889861
3-[(1R)-1-(3,5-dichlorophenoxy)propyl]pyrrolidine
CID 66891634
(3S)-3-[(1S)-1-(3,5-dichlorophenoxy)propyl]pyrrolidine
CID 66892286
3-[(1S)-1-(4-chloro-3,5-dimethylphenoxy)propyl]pyrrolidine
CID 66892676
3-[(1S)-1-(2-chloro-3,6-difluorophenoxy)propyl]pyrrolidine
CID 66891700
3-[1-(4-methylphenoxy)propyl]pyrrolidine
CID 173284733
3-[(1S)-1-(4-chloro-2-fluorophenoxy)propyl]pyrrolidine
CID 66891945
(3S)-3-[(1S)-1-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine
CID 66890766
(3S)-3-[(1S)-1-(2-ethyl-4-fluorophenoxy)propyl]pyrrolidine
CID 66848796
(3S)-3-[(1S)-1-(4-chloro-2-methylphenoxy)propyl]pyrrolidine
CID 66890259
(3S)-3-(1-naphthalen-1-yloxypropyl)pyrrolidine
CID 66892345
4-(3,5-difluoro-4-methoxyphenoxy)piperidine;hydrochloride
CID 86704242

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1S)-1-(3,5-difluoro-4-methoxyphenoxy)propyl]pyrrolidine?
The IUPAC name of (3S)-3-[(1S)-1-(3,5-difluoro-4-methoxyphenoxy)propyl]pyrrolidine (CID 66892314) is (3S)-3-[(1S)-1-(3,5-difluoro-4-methoxyphenoxy)propyl]pyrrolidine.
What is the SMILES notation for (3S)-3-[(1S)-1-(3,5-difluoro-4-methoxyphenoxy)propyl]pyrrolidine?
The canonical SMILES for (3S)-3-[(1S)-1-(3,5-difluoro-4-methoxyphenoxy)propyl]pyrrolidine is CC[C@H](Oc1cc(F)c(OC)c(F)c1)[C@H]1CCNC1.
What is the InChIKey of (3S)-3-[(1S)-1-(3,5-difluoro-4-methoxyphenoxy)propyl]pyrrolidine?
The InChIKey is ZFNMDEQUVMODFI-ZANVPECISA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-3-13(9-4-5-17-8-9)19-10-6-11(15)14(18-2)12(16)7-10/h6-7,9,13,17H,3-5,8H2,1-2H3/t9-,13-/m0/s1.
What are the key properties of (3S)-3-[(1S)-1-(3,5-difluoro-4-methoxyphenoxy)propyl]pyrrolidine?
(3S)-3-[(1S)-1-(3,5-difluoro-4-methoxyphenoxy)propyl]pyrrolidine has a molecular weight of 271.31 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1S)-1-(3,5-difluoro-4-methoxyphenoxy)propyl]pyrrolidine is sourced from PubChem (CID 66892314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).