[(3R,4S)-4-amino-4-(2-fluorophenyl)-2-methyloxolan-3-yl]methanol

C12H16FNO2 — CID 67477643

IUPAC[(3R,4S)-4-amino-4-(2-fluorophenyl)-2-methyloxolan-3-yl]methanol
SMILESCC1OC[C@@](N)(c2ccccc2F)[C@@H]1CO
InChIInChI=1S/C12H16FNO2/c1-8-10(6-15)12(14,7-16-8)9-4-2-3-5-11(9)13/h2-5,8,10,15H,6-7,14H2,1H3/t8?,10-,12-/m1/s1
InChIKeyFAMVOZPGRWJEJE-JAKHEFHJSA-N
MW225.26 g/mol
LogP1.01
Rot. Bonds2

About [(3R,4S)-4-amino-4-(2-fluorophenyl)-2-methyloxolan-3-yl]methanol

[(3R,4S)-4-amino-4-(2-fluorophenyl)-2-methyloxolan-3-yl]methanol (PubChem CID 67477643) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is [(3R,4S)-4-amino-4-(2-fluorophenyl)-2-methyloxolan-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4S)-4-amino-4-(2-fluorophenyl)-2-methyloxolan-3-yl]methanol
PubChem CID67477643
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name[(3R,4S)-4-amino-4-(2-fluorophenyl)-2-methyloxolan-3-yl]methanol
SMILESCC1OC[C@@](N)(c2ccccc2F)[C@@H]1CO
InChIInChI=1S/C12H16FNO2/c1-8-10(6-15)12(14,7-16-8)9-4-2-3-5-11(9)13/h2-5,8,10,15H,6-7,14H2,1H3/t8?,10-,12-/m1/s1
InChIKeyFAMVOZPGRWJEJE-JAKHEFHJSA-N
XLogP1.01
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-amino-4-(2-fluorophenyl)-2-methyloxolan-3-yl]methanol?
The IUPAC name of [(3R,4S)-4-amino-4-(2-fluorophenyl)-2-methyloxolan-3-yl]methanol (CID 67477643) is [(3R,4S)-4-amino-4-(2-fluorophenyl)-2-methyloxolan-3-yl]methanol.
What is the SMILES notation for [(3R,4S)-4-amino-4-(2-fluorophenyl)-2-methyloxolan-3-yl]methanol?
The canonical SMILES for [(3R,4S)-4-amino-4-(2-fluorophenyl)-2-methyloxolan-3-yl]methanol is CC1OC[C@@](N)(c2ccccc2F)[C@@H]1CO.
What is the InChIKey of [(3R,4S)-4-amino-4-(2-fluorophenyl)-2-methyloxolan-3-yl]methanol?
The InChIKey is FAMVOZPGRWJEJE-JAKHEFHJSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-8-10(6-15)12(14,7-16-8)9-4-2-3-5-11(9)13/h2-5,8,10,15H,6-7,14H2,1H3/t8?,10-,12-/m1/s1.
What are the key properties of [(3R,4S)-4-amino-4-(2-fluorophenyl)-2-methyloxolan-3-yl]methanol?
[(3R,4S)-4-amino-4-(2-fluorophenyl)-2-methyloxolan-3-yl]methanol has a molecular weight of 225.26 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-amino-4-(2-fluorophenyl)-2-methyloxolan-3-yl]methanol is sourced from PubChem (CID 67477643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).