1-[5-(aminomethyl)oxolan-2-yl]-2-(5-chloro-2-fluorophenyl)ethanone

C13H15ClFNO2 — CID 103052402

IUPAC1-[5-(aminomethyl)oxolan-2-yl]-2-(5-chloro-2-fluorophenyl)ethanone
SMILESNCC1CCC(C(=O)Cc2cc(Cl)ccc2F)O1
InChIInChI=1S/C13H15ClFNO2/c14-9-1-3-11(15)8(5-9)6-12(17)13-4-2-10(7-16)18-13/h1,3,5,10,13H,2,4,6-7,16H2
InChIKeyGPZINXANKOPADN-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.10
Rot. Bonds4

About 1-[5-(aminomethyl)oxolan-2-yl]-2-(5-chloro-2-fluorophenyl)ethanone

1-[5-(aminomethyl)oxolan-2-yl]-2-(5-chloro-2-fluorophenyl)ethanone (PubChem CID 103052402) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is 1-[5-(aminomethyl)oxolan-2-yl]-2-(5-chloro-2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[5-(aminomethyl)oxolan-2-yl]-2-(5-chloro-2-fluorophenyl)ethanone
PubChem CID103052402
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Name1-[5-(aminomethyl)oxolan-2-yl]-2-(5-chloro-2-fluorophenyl)ethanone
SMILESNCC1CCC(C(=O)Cc2cc(Cl)ccc2F)O1
InChIInChI=1S/C13H15ClFNO2/c14-9-1-3-11(15)8(5-9)6-12(17)13-4-2-10(7-16)18-13/h1,3,5,10,13H,2,4,6-7,16H2
InChIKeyGPZINXANKOPADN-UHFFFAOYSA-N
XLogP2.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(aminomethyl)oxolan-2-yl]-2-(2,5-dichlorophenyl)ethanone
CID 116589208
1-[5-(aminomethyl)oxolan-2-yl]-2-(4-bromo-2-chlorophenyl)ethanone
CID 116589151
(2S,5R)-5-(aminomethyl)-N-[5-chloro-2-(cyclopropylamino)phenyl]oxolane-2-carboxamide
CID 120798578
(2S,5R)-5-(aminomethyl)-N-[(5-chloro-2-methoxyphenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120788549
(2S,5R)-5-(aminomethyl)-N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide;hydrochloride
CID 120782775
2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 103047938
(2S,5R)-5-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]oxolane-2-carboxamide;dihydrochloride
CID 120798661
1-[5-(aminomethyl)oxolan-2-yl]-2-(5-bromothiophen-2-yl)ethanone
CID 116589040
(2S,5R)-5-(aminomethyl)-N-(4-chloro-3-fluorophenyl)oxolane-2-carboxamide;hydrochloride
CID 120786045
(2S,5R)-5-(aminomethyl)-N-[(4-chloro-2-methoxyphenyl)methyl]oxolane-2-carboxamide
CID 120792654
(2S,5R)-5-(aminomethyl)-N-[2-(5-bromo-2-fluorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120789465
(2S,5R)-5-(aminomethyl)-N-[1-(2,4-dichlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120790579

Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)oxolan-2-yl]-2-(5-chloro-2-fluorophenyl)ethanone?
The IUPAC name of 1-[5-(aminomethyl)oxolan-2-yl]-2-(5-chloro-2-fluorophenyl)ethanone (CID 103052402) is 1-[5-(aminomethyl)oxolan-2-yl]-2-(5-chloro-2-fluorophenyl)ethanone.
What is the SMILES notation for 1-[5-(aminomethyl)oxolan-2-yl]-2-(5-chloro-2-fluorophenyl)ethanone?
The canonical SMILES for 1-[5-(aminomethyl)oxolan-2-yl]-2-(5-chloro-2-fluorophenyl)ethanone is NCC1CCC(C(=O)Cc2cc(Cl)ccc2F)O1.
What is the InChIKey of 1-[5-(aminomethyl)oxolan-2-yl]-2-(5-chloro-2-fluorophenyl)ethanone?
The InChIKey is GPZINXANKOPADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO2/c14-9-1-3-11(15)8(5-9)6-12(17)13-4-2-10(7-16)18-13/h1,3,5,10,13H,2,4,6-7,16H2.
What are the key properties of 1-[5-(aminomethyl)oxolan-2-yl]-2-(5-chloro-2-fluorophenyl)ethanone?
1-[5-(aminomethyl)oxolan-2-yl]-2-(5-chloro-2-fluorophenyl)ethanone has a molecular weight of 271.72 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)oxolan-2-yl]-2-(5-chloro-2-fluorophenyl)ethanone is sourced from PubChem (CID 103052402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).