1-[4-[3-[(3R)-3-fluoropyrrolidin-1-yl]propyl]phenoxy]ethanol

C15H22FNO2 — CID 143934977

IUPAC1-[4-[3-[(3R)-3-fluoropyrrolidin-1-yl]propyl]phenoxy]ethanol
SMILESCC(O)Oc1ccc(CCCN2CC[C@@H](F)C2)cc1
InChIInChI=1S/C15H22FNO2/c1-12(18)19-15-6-4-13(5-7-15)3-2-9-17-10-8-14(16)11-17/h4-7,12,14,18H,2-3,8-11H2,1H3/t12?,14-/m1/s1
InChIKeyPDVQXFNQABOTMZ-TYZXPVIJSA-N
MW267.34 g/mol
LogP2.38
Rot. Bonds6

About 1-[4-[3-[(3R)-3-fluoropyrrolidin-1-yl]propyl]phenoxy]ethanol

1-[4-[3-[(3R)-3-fluoropyrrolidin-1-yl]propyl]phenoxy]ethanol (PubChem CID 143934977) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-[4-[3-[(3R)-3-fluoropyrrolidin-1-yl]propyl]phenoxy]ethanol.

Molecular Properties

Compound Name1-[4-[3-[(3R)-3-fluoropyrrolidin-1-yl]propyl]phenoxy]ethanol
PubChem CID143934977
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-[4-[3-[(3R)-3-fluoropyrrolidin-1-yl]propyl]phenoxy]ethanol
SMILESCC(O)Oc1ccc(CCCN2CC[C@@H](F)C2)cc1
InChIInChI=1S/C15H22FNO2/c1-12(18)19-15-6-4-13(5-7-15)3-2-9-17-10-8-14(16)11-17/h4-7,12,14,18H,2-3,8-11H2,1H3/t12?,14-/m1/s1
InChIKeyPDVQXFNQABOTMZ-TYZXPVIJSA-N
XLogP2.38
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]aniline
CID 113417575
1-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]oxy]ethanol
CID 22038243
3-fluoro-1-(3-methylbutyl)pyrrolidine
CID 67990286
1-[3-(4-fluorophenyl)propyl]piperidin-4-ol
CID 21180751
(3S)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933968
(3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine
CID 58688933
1-[3-(4-methoxyphenyl)propyl]piperidine
CID 42640027
(3R)-N-methyl-1-(3-phenylpropyl)pyrrolidin-3-amine
CID 142940640
4-[3-[4-(trifluoromethyl)piperidin-1-yl]propyl]aniline
CID 115342194
3-chloro-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine
CID 65445936
1-(4-methylpentyl)-4-[2-(4-propylphenoxy)ethyl]piperidine
CID 166938631
1-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 132650772

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[(3R)-3-fluoropyrrolidin-1-yl]propyl]phenoxy]ethanol?
The IUPAC name of 1-[4-[3-[(3R)-3-fluoropyrrolidin-1-yl]propyl]phenoxy]ethanol (CID 143934977) is 1-[4-[3-[(3R)-3-fluoropyrrolidin-1-yl]propyl]phenoxy]ethanol.
What is the SMILES notation for 1-[4-[3-[(3R)-3-fluoropyrrolidin-1-yl]propyl]phenoxy]ethanol?
The canonical SMILES for 1-[4-[3-[(3R)-3-fluoropyrrolidin-1-yl]propyl]phenoxy]ethanol is CC(O)Oc1ccc(CCCN2CC[C@@H](F)C2)cc1.
What is the InChIKey of 1-[4-[3-[(3R)-3-fluoropyrrolidin-1-yl]propyl]phenoxy]ethanol?
The InChIKey is PDVQXFNQABOTMZ-TYZXPVIJSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-12(18)19-15-6-4-13(5-7-15)3-2-9-17-10-8-14(16)11-17/h4-7,12,14,18H,2-3,8-11H2,1H3/t12?,14-/m1/s1.
What are the key properties of 1-[4-[3-[(3R)-3-fluoropyrrolidin-1-yl]propyl]phenoxy]ethanol?
1-[4-[3-[(3R)-3-fluoropyrrolidin-1-yl]propyl]phenoxy]ethanol has a molecular weight of 267.34 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[(3R)-3-fluoropyrrolidin-1-yl]propyl]phenoxy]ethanol is sourced from PubChem (CID 143934977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).