1-[2-fluoro-6-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol

C14H20FNO2 — CID 64597980

IUPAC1-[2-fluoro-6-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol
SMILESCOCC1CCN(c2cccc(F)c2C(C)O)C1
InChIInChI=1S/C14H20FNO2/c1-10(17)14-12(15)4-3-5-13(14)16-7-6-11(8-16)9-18-2/h3-5,10-11,17H,6-9H2,1-2H3
InChIKeyLRCIEGVWRZKFNH-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.35
Rot. Bonds4

About 1-[2-fluoro-6-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol

1-[2-fluoro-6-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol (PubChem CID 64597980) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-[2-fluoro-6-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-fluoro-6-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol
PubChem CID64597980
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-[2-fluoro-6-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol
SMILESCOCC1CCN(c2cccc(F)c2C(C)O)C1
InChIInChI=1S/C14H20FNO2/c1-10(17)14-12(15)4-3-5-13(14)16-7-6-11(8-16)9-18-2/h3-5,10-11,17H,6-9H2,1-2H3
InChIKeyLRCIEGVWRZKFNH-UHFFFAOYSA-N
XLogP2.35
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-ethylpiperidin-1-yl)-6-fluorophenyl]ethanol
CID 61421255
1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol
CID 62943959
(1S)-1-[2-(3,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol
CID 104874438
(1S)-1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 64597981
1-[1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 113356001
1-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperidin-4-ol
CID 104940982
(1R)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluorophenyl]ethanol
CID 78941188
(1S)-1-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-6-fluorophenyl]ethanol
CID 78939853
(1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methoxyphenyl]ethanol
CID 113389249
(1S)-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-6-fluorophenyl]ethanol
CID 78940212
(1R)-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-6-fluorophenyl]ethanol
CID 63371168
(1R)-1-(2-fluoro-6-pyrrolidin-1-ylphenyl)ethanol
CID 63371551

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol?
The IUPAC name of 1-[2-fluoro-6-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol (CID 64597980) is 1-[2-fluoro-6-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol.
What is the SMILES notation for 1-[2-fluoro-6-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol?
The canonical SMILES for 1-[2-fluoro-6-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol is COCC1CCN(c2cccc(F)c2C(C)O)C1.
What is the InChIKey of 1-[2-fluoro-6-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol?
The InChIKey is LRCIEGVWRZKFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-10(17)14-12(15)4-3-5-13(14)16-7-6-11(8-16)9-18-2/h3-5,10-11,17H,6-9H2,1-2H3.
What are the key properties of 1-[2-fluoro-6-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol?
1-[2-fluoro-6-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol has a molecular weight of 253.32 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol is sourced from PubChem (CID 64597980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).