[4-(2,3-dichloroprop-2-enylamino)oxan-4-yl]methanol

C9H15Cl2NO2 — CID 103774319

IUPAC[4-(2,3-dichloroprop-2-enylamino)oxan-4-yl]methanol
SMILESOCC1(NCC(Cl)=CCl)CCOCC1
InChIInChI=1S/C9H15Cl2NO2/c10-5-8(11)6-12-9(7-13)1-3-14-4-2-9/h5,12-13H,1-4,6-7H2
InChIKeyBBZXKMLHZTZJPB-UHFFFAOYSA-N
MW240.13 g/mol
LogP1.44
Rot. Bonds4

About [4-(2,3-dichloroprop-2-enylamino)oxan-4-yl]methanol

[4-(2,3-dichloroprop-2-enylamino)oxan-4-yl]methanol (PubChem CID 103774319) has the molecular formula C9H15Cl2NO2 and a molecular weight of 240.13 g/mol. Its IUPAC name is [4-(2,3-dichloroprop-2-enylamino)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(2,3-dichloroprop-2-enylamino)oxan-4-yl]methanol
PubChem CID103774319
Molecular FormulaC9H15Cl2NO2
Molecular Weight240.13 g/mol
Exact Mass239.05
IUPAC Name[4-(2,3-dichloroprop-2-enylamino)oxan-4-yl]methanol
SMILESOCC1(NCC(Cl)=CCl)CCOCC1
InChIInChI=1S/C9H15Cl2NO2/c10-5-8(11)6-12-9(7-13)1-3-14-4-2-9/h5,12-13H,1-4,6-7H2
InChIKeyBBZXKMLHZTZJPB-UHFFFAOYSA-N
XLogP1.44
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dichloroprop-2-enyl)-4-methyloxan-4-amine
CID 104866606
[4-[[(E)-4-chlorobut-2-enyl]amino]oxan-4-yl]methanol
CID 106297849
[4-[(3-Chloro-2-methylprop-2-enyl)amino]oxan-4-yl]methanol
CID 106438351
N-[(Z)-2,3-dichloroprop-2-enyl]-4-methyloxan-4-amine
CID 133631366

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dichloroprop-2-enylamino)oxan-4-yl]methanol?
The IUPAC name of [4-(2,3-dichloroprop-2-enylamino)oxan-4-yl]methanol (CID 103774319) is [4-(2,3-dichloroprop-2-enylamino)oxan-4-yl]methanol.
What is the SMILES notation for [4-(2,3-dichloroprop-2-enylamino)oxan-4-yl]methanol?
The canonical SMILES for [4-(2,3-dichloroprop-2-enylamino)oxan-4-yl]methanol is OCC1(NCC(Cl)=CCl)CCOCC1.
What is the InChIKey of [4-(2,3-dichloroprop-2-enylamino)oxan-4-yl]methanol?
The InChIKey is BBZXKMLHZTZJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl2NO2/c10-5-8(11)6-12-9(7-13)1-3-14-4-2-9/h5,12-13H,1-4,6-7H2.
What are the key properties of [4-(2,3-dichloroprop-2-enylamino)oxan-4-yl]methanol?
[4-(2,3-dichloroprop-2-enylamino)oxan-4-yl]methanol has a molecular weight of 240.13 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dichloroprop-2-enylamino)oxan-4-yl]methanol is sourced from PubChem (CID 103774319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).