[3-(aminomethyl)oxolan-3-yl]-(2-chloro-6-fluorophenyl)methanol

C12H15ClFNO2 — CID 79134911

IUPAC[3-(aminomethyl)oxolan-3-yl]-(2-chloro-6-fluorophenyl)methanol
SMILESNCC1(C(O)c2c(F)cccc2Cl)CCOC1
InChIInChI=1S/C12H15ClFNO2/c13-8-2-1-3-9(14)10(8)11(16)12(6-15)4-5-17-7-12/h1-3,11,16H,4-7,15H2
InChIKeySBEVNAPXBLDCCE-UHFFFAOYSA-N
MW259.71 g/mol
LogP1.88
Rot. Bonds3

About [3-(aminomethyl)oxolan-3-yl]-(2-chloro-6-fluorophenyl)methanol

[3-(aminomethyl)oxolan-3-yl]-(2-chloro-6-fluorophenyl)methanol (PubChem CID 79134911) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is [3-(aminomethyl)oxolan-3-yl]-(2-chloro-6-fluorophenyl)methanol.

Molecular Properties

Compound Name[3-(aminomethyl)oxolan-3-yl]-(2-chloro-6-fluorophenyl)methanol
PubChem CID79134911
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Name[3-(aminomethyl)oxolan-3-yl]-(2-chloro-6-fluorophenyl)methanol
SMILESNCC1(C(O)c2c(F)cccc2Cl)CCOC1
InChIInChI=1S/C12H15ClFNO2/c13-8-2-1-3-9(14)10(8)11(16)12(6-15)4-5-17-7-12/h1-3,11,16H,4-7,15H2
InChIKeySBEVNAPXBLDCCE-UHFFFAOYSA-N
XLogP1.88
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)oxolan-3-yl]-(2-chloro-6-fluorophenyl)methanol?
The IUPAC name of [3-(aminomethyl)oxolan-3-yl]-(2-chloro-6-fluorophenyl)methanol (CID 79134911) is [3-(aminomethyl)oxolan-3-yl]-(2-chloro-6-fluorophenyl)methanol.
What is the SMILES notation for [3-(aminomethyl)oxolan-3-yl]-(2-chloro-6-fluorophenyl)methanol?
The canonical SMILES for [3-(aminomethyl)oxolan-3-yl]-(2-chloro-6-fluorophenyl)methanol is NCC1(C(O)c2c(F)cccc2Cl)CCOC1.
What is the InChIKey of [3-(aminomethyl)oxolan-3-yl]-(2-chloro-6-fluorophenyl)methanol?
The InChIKey is SBEVNAPXBLDCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c13-8-2-1-3-9(14)10(8)11(16)12(6-15)4-5-17-7-12/h1-3,11,16H,4-7,15H2.
What are the key properties of [3-(aminomethyl)oxolan-3-yl]-(2-chloro-6-fluorophenyl)methanol?
[3-(aminomethyl)oxolan-3-yl]-(2-chloro-6-fluorophenyl)methanol has a molecular weight of 259.71 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)oxolan-3-yl]-(2-chloro-6-fluorophenyl)methanol is sourced from PubChem (CID 79134911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).