1-(3-aminooxolan-3-yl)-2-(4-chloro-2-fluorophenyl)ethanone

C12H13ClFNO2 — CID 114863389

IUPAC1-(3-aminooxolan-3-yl)-2-(4-chloro-2-fluorophenyl)ethanone
SMILESNC1(C(=O)Cc2ccc(Cl)cc2F)CCOC1
InChIInChI=1S/C12H13ClFNO2/c13-9-2-1-8(10(14)6-9)5-11(16)12(15)3-4-17-7-12/h1-2,6H,3-5,7,15H2
InChIKeyOUOVIRCBKBMNFO-UHFFFAOYSA-N
MW257.69 g/mol
LogP1.71
Rot. Bonds3

About 1-(3-aminooxolan-3-yl)-2-(4-chloro-2-fluorophenyl)ethanone

1-(3-aminooxolan-3-yl)-2-(4-chloro-2-fluorophenyl)ethanone (PubChem CID 114863389) has the molecular formula C12H13ClFNO2 and a molecular weight of 257.69 g/mol. Its IUPAC name is 1-(3-aminooxolan-3-yl)-2-(4-chloro-2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-aminooxolan-3-yl)-2-(4-chloro-2-fluorophenyl)ethanone
PubChem CID114863389
Molecular FormulaC12H13ClFNO2
Molecular Weight257.69 g/mol
Exact Mass257.06
IUPAC Name1-(3-aminooxolan-3-yl)-2-(4-chloro-2-fluorophenyl)ethanone
SMILESNC1(C(=O)Cc2ccc(Cl)cc2F)CCOC1
InChIInChI=1S/C12H13ClFNO2/c13-9-2-1-8(10(14)6-9)5-11(16)12(15)3-4-17-7-12/h1-2,6H,3-5,7,15H2
InChIKeyOUOVIRCBKBMNFO-UHFFFAOYSA-N
XLogP1.71
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.69
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminooxan-4-yl)-2-(2,5-difluorophenyl)ethanone
CID 116604564
3-[(4-chloro-2-fluorophenyl)methyl]oxolane-3-carboxylic acid
CID 114851096
3-amino-N-(2,4-dichlorophenyl)oxolane-3-carboxamide
CID 64892685
1-(3-aminooxolan-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116579688
1-(1-aminocyclopropyl)-2-(4-bromo-2-fluorophenyl)ethanone
CID 116576707
1-(1-aminocyclobutyl)-2-(2,4-difluorophenyl)ethanone
CID 116598534
4-[(4-chloro-2-fluorophenyl)methyl]oxepan-4-amine
CID 114853535
1-(3-aminooxolan-3-yl)-2-(furan-3-yl)ethanone
CID 116579682
3-[(4-chloro-2-fluorophenyl)methyl]-3-(chloromethyl)oxolane
CID 114861921
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
1-(3-aminooxolan-3-yl)-2-quinolin-2-ylethanone
CID 116579737
(4-aminooxan-4-yl)-(2,5-dichlorophenyl)methanone
CID 116604624

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminooxolan-3-yl)-2-(4-chloro-2-fluorophenyl)ethanone?
The IUPAC name of 1-(3-aminooxolan-3-yl)-2-(4-chloro-2-fluorophenyl)ethanone (CID 114863389) is 1-(3-aminooxolan-3-yl)-2-(4-chloro-2-fluorophenyl)ethanone.
What is the SMILES notation for 1-(3-aminooxolan-3-yl)-2-(4-chloro-2-fluorophenyl)ethanone?
The canonical SMILES for 1-(3-aminooxolan-3-yl)-2-(4-chloro-2-fluorophenyl)ethanone is NC1(C(=O)Cc2ccc(Cl)cc2F)CCOC1.
What is the InChIKey of 1-(3-aminooxolan-3-yl)-2-(4-chloro-2-fluorophenyl)ethanone?
The InChIKey is OUOVIRCBKBMNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO2/c13-9-2-1-8(10(14)6-9)5-11(16)12(15)3-4-17-7-12/h1-2,6H,3-5,7,15H2.
What are the key properties of 1-(3-aminooxolan-3-yl)-2-(4-chloro-2-fluorophenyl)ethanone?
1-(3-aminooxolan-3-yl)-2-(4-chloro-2-fluorophenyl)ethanone has a molecular weight of 257.69 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminooxolan-3-yl)-2-(4-chloro-2-fluorophenyl)ethanone is sourced from PubChem (CID 114863389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).