3-[3-fluoro-5-[1-(3-methylpentan-2-yl)pyrrolidin-2-yl]phenoxy]propane-1,2-diol

C19H30FNO3 — CID 129252824

IUPAC3-[3-fluoro-5-[1-(3-methylpentan-2-yl)pyrrolidin-2-yl]phenoxy]propane-1,2-diol
SMILESCCC(C)C(C)N1CCCC1c1cc(F)cc(OCC(O)CO)c1
InChIInChI=1S/C19H30FNO3/c1-4-13(2)14(3)21-7-5-6-19(21)15-8-16(20)10-18(9-15)24-12-17(23)11-22/h8-10,13-14,17,19,22-23H,4-7,11-12H2,1-3H3
InChIKeyGEWDOKHHHLMSCQ-UHFFFAOYSA-N
MW339.45 g/mol
LogP3.13
Rot. Bonds8

About 3-[3-fluoro-5-[1-(3-methylpentan-2-yl)pyrrolidin-2-yl]phenoxy]propane-1,2-diol

3-[3-fluoro-5-[1-(3-methylpentan-2-yl)pyrrolidin-2-yl]phenoxy]propane-1,2-diol (PubChem CID 129252824) has the molecular formula C19H30FNO3 and a molecular weight of 339.45 g/mol. Its IUPAC name is 3-[3-fluoro-5-[1-(3-methylpentan-2-yl)pyrrolidin-2-yl]phenoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[3-fluoro-5-[1-(3-methylpentan-2-yl)pyrrolidin-2-yl]phenoxy]propane-1,2-diol
PubChem CID129252824
Molecular FormulaC19H30FNO3
Molecular Weight339.45 g/mol
Exact Mass339.22
IUPAC Name3-[3-fluoro-5-[1-(3-methylpentan-2-yl)pyrrolidin-2-yl]phenoxy]propane-1,2-diol
SMILESCCC(C)C(C)N1CCCC1c1cc(F)cc(OCC(O)CO)c1
InChIInChI=1S/C19H30FNO3/c1-4-13(2)14(3)21-7-5-6-19(21)15-8-16(20)10-18(9-15)24-12-17(23)11-22/h8-10,13-14,17,19,22-23H,4-7,11-12H2,1-3H3
InChIKeyGEWDOKHHHLMSCQ-UHFFFAOYSA-N
XLogP3.13
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[3-fluoro-5-[1-(3-methylpentan-2-yl)pyrrolidin-2-yl]phenoxy]propane-1,2-diol with MolForge

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Related Compounds

(2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-2-ol
CID 92817655
1-(3,5-difluorophenoxy)propan-2-ol
CID 62784687
(2R)-1-[(2S)-2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
CID 124618147
3-[3-(2,3-dihydroxypropoxy)-5-methylphenoxy]propane-1,2-diol
CID 18362183
5-fluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrimidine
CID 71100553
1-bromo-3-(3,5-difluorophenoxy)propan-2-ol
CID 112560779
(2S)-1-(4-fluorophenoxy)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol
CID 95569820
4-[4-[(2R)-3-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2-hydroxypropoxy]phenyl]butan-2-one
CID 124839148
(2R)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine
CID 124501109
3-[3-amino-5-(2,3-dihydroxypropoxy)phenoxy]propane-1,2-diol
CID 70408589
1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
CID 111148127
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 111113995

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-5-[1-(3-methylpentan-2-yl)pyrrolidin-2-yl]phenoxy]propane-1,2-diol?
The IUPAC name of 3-[3-fluoro-5-[1-(3-methylpentan-2-yl)pyrrolidin-2-yl]phenoxy]propane-1,2-diol (CID 129252824) is 3-[3-fluoro-5-[1-(3-methylpentan-2-yl)pyrrolidin-2-yl]phenoxy]propane-1,2-diol.
What is the SMILES notation for 3-[3-fluoro-5-[1-(3-methylpentan-2-yl)pyrrolidin-2-yl]phenoxy]propane-1,2-diol?
The canonical SMILES for 3-[3-fluoro-5-[1-(3-methylpentan-2-yl)pyrrolidin-2-yl]phenoxy]propane-1,2-diol is CCC(C)C(C)N1CCCC1c1cc(F)cc(OCC(O)CO)c1.
What is the InChIKey of 3-[3-fluoro-5-[1-(3-methylpentan-2-yl)pyrrolidin-2-yl]phenoxy]propane-1,2-diol?
The InChIKey is GEWDOKHHHLMSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FNO3/c1-4-13(2)14(3)21-7-5-6-19(21)15-8-16(20)10-18(9-15)24-12-17(23)11-22/h8-10,13-14,17,19,22-23H,4-7,11-12H2,1-3H3.
What are the key properties of 3-[3-fluoro-5-[1-(3-methylpentan-2-yl)pyrrolidin-2-yl]phenoxy]propane-1,2-diol?
3-[3-fluoro-5-[1-(3-methylpentan-2-yl)pyrrolidin-2-yl]phenoxy]propane-1,2-diol has a molecular weight of 339.45 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-5-[1-(3-methylpentan-2-yl)pyrrolidin-2-yl]phenoxy]propane-1,2-diol is sourced from PubChem (CID 129252824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).