[4-amino-4-(2-fluorophenyl)-2-(methoxymethyl)oxolan-3-yl]methanol

C13H18FNO3 — CID 67477691

IUPAC[4-amino-4-(2-fluorophenyl)-2-(methoxymethyl)oxolan-3-yl]methanol
SMILESCOCC1OCC(N)(c2ccccc2F)C1CO
InChIInChI=1S/C13H18FNO3/c1-17-7-12-10(6-16)13(15,8-18-12)9-4-2-3-5-11(9)14/h2-5,10,12,16H,6-8,15H2,1H3
InChIKeyBMUWBOWVOABXCB-UHFFFAOYSA-N
MW255.29 g/mol
LogP0.63
Rot. Bonds4

About [4-amino-4-(2-fluorophenyl)-2-(methoxymethyl)oxolan-3-yl]methanol

[4-amino-4-(2-fluorophenyl)-2-(methoxymethyl)oxolan-3-yl]methanol (PubChem CID 67477691) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is [4-amino-4-(2-fluorophenyl)-2-(methoxymethyl)oxolan-3-yl]methanol.

Molecular Properties

Compound Name[4-amino-4-(2-fluorophenyl)-2-(methoxymethyl)oxolan-3-yl]methanol
PubChem CID67477691
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name[4-amino-4-(2-fluorophenyl)-2-(methoxymethyl)oxolan-3-yl]methanol
SMILESCOCC1OCC(N)(c2ccccc2F)C1CO
InChIInChI=1S/C13H18FNO3/c1-17-7-12-10(6-16)13(15,8-18-12)9-4-2-3-5-11(9)14/h2-5,10,12,16H,6-8,15H2,1H3
InChIKeyBMUWBOWVOABXCB-UHFFFAOYSA-N
XLogP0.63
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,4S)-4-(2-fluorophenyl)-2-(methoxymethyl)-4-(methylamino)oxolan-3-yl]methanol
CID 143834640
[(3R,4S)-4-amino-4-(2-fluorophenyl)-2-methyloxolan-3-yl]methanol
CID 67477643
[(2R,3S,4R)-4-amino-4-(2,3-difluorophenyl)-2-(hydroxymethyl)oxolan-3-yl]methanol
CID 126659760
[(2S,3R,4S)-4-amino-4-(2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol
CID 66869282
[(2S,4R,5S)-5-amino-5-(2-fluorophenyl)-2-methyloxan-4-yl]methanol
CID 58406100
[(2S,4R,5S)-5-amino-2-ethyl-5-(2-fluorophenyl)oxan-4-yl]methanol
CID 58406074
[(3R,4S,6S)-4-amino-6-ethyl-4-(2-fluorophenyl)oxan-3-yl]methanol
CID 59621338
[(2S,3R,4S)-4-amino-4-(5-bromo-2-fluorophenyl)-2-[[(3Z,5Z)-1-cyclohexa-1,3-dien-1-yl-1-phenylhepta-3,5-dienoxy]methyl]oxolan-3-yl]methanol
CID 139364832
[4-amino-4-(5-bromo-2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol
CID 142379078
tert-butyl 2-[(3R,4R,5R)-3-(2-fluorophenyl)-4-(hydroxymethyl)-5-methyloxolan-3-yl]acetate
CID 146693388
(3S,4R)-4-amino-4-(2-fluorophenyl)oxolane-3-carboxylic acid
CID 123956651
1-(2-fluorophenyl)-2,3-dimethylcyclohexan-1-amine
CID 64774969

Frequently Asked Questions

What is the IUPAC name of [4-amino-4-(2-fluorophenyl)-2-(methoxymethyl)oxolan-3-yl]methanol?
The IUPAC name of [4-amino-4-(2-fluorophenyl)-2-(methoxymethyl)oxolan-3-yl]methanol (CID 67477691) is [4-amino-4-(2-fluorophenyl)-2-(methoxymethyl)oxolan-3-yl]methanol.
What is the SMILES notation for [4-amino-4-(2-fluorophenyl)-2-(methoxymethyl)oxolan-3-yl]methanol?
The canonical SMILES for [4-amino-4-(2-fluorophenyl)-2-(methoxymethyl)oxolan-3-yl]methanol is COCC1OCC(N)(c2ccccc2F)C1CO.
What is the InChIKey of [4-amino-4-(2-fluorophenyl)-2-(methoxymethyl)oxolan-3-yl]methanol?
The InChIKey is BMUWBOWVOABXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-17-7-12-10(6-16)13(15,8-18-12)9-4-2-3-5-11(9)14/h2-5,10,12,16H,6-8,15H2,1H3.
What are the key properties of [4-amino-4-(2-fluorophenyl)-2-(methoxymethyl)oxolan-3-yl]methanol?
[4-amino-4-(2-fluorophenyl)-2-(methoxymethyl)oxolan-3-yl]methanol has a molecular weight of 255.29 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-4-(2-fluorophenyl)-2-(methoxymethyl)oxolan-3-yl]methanol is sourced from PubChem (CID 67477691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).