(Z)-2-[(2,3-dichlorophenoxy)methyl]-3-fluoroprop-2-en-1-amine

C10H10Cl2FNO — CID 58852392

IUPAC(Z)-2-[(2,3-dichlorophenoxy)methyl]-3-fluoroprop-2-en-1-amine
SMILESNC/C(=C/F)COc1cccc(Cl)c1Cl
InChIInChI=1S/C10H10Cl2FNO/c11-8-2-1-3-9(10(8)12)15-6-7(4-13)5-14/h1-4H,5-6,14H2/b7-4-
InChIKeyDSLWCSJROKUOFA-DAXSKMNVSA-N
MW250.10 g/mol
LogP3.18
Rot. Bonds4

About (Z)-2-[(2,3-dichlorophenoxy)methyl]-3-fluoroprop-2-en-1-amine

(Z)-2-[(2,3-dichlorophenoxy)methyl]-3-fluoroprop-2-en-1-amine (PubChem CID 58852392) has the molecular formula C10H10Cl2FNO and a molecular weight of 250.10 g/mol. Its IUPAC name is (Z)-2-[(2,3-dichlorophenoxy)methyl]-3-fluoroprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[(2,3-dichlorophenoxy)methyl]-3-fluoroprop-2-en-1-amine
PubChem CID58852392
Molecular FormulaC10H10Cl2FNO
Molecular Weight250.10 g/mol
Exact Mass249.01
IUPAC Name(Z)-2-[(2,3-dichlorophenoxy)methyl]-3-fluoroprop-2-en-1-amine
SMILESNC/C(=C/F)COc1cccc(Cl)c1Cl
InChIInChI=1S/C10H10Cl2FNO/c11-8-2-1-3-9(10(8)12)15-6-7(4-13)5-14/h1-4H,5-6,14H2/b7-4-
InChIKeyDSLWCSJROKUOFA-DAXSKMNVSA-N
XLogP3.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.10
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 18542939
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CID 52913859
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CID 17174933
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CID 80505186
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CID 127636
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CID 6438876
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CID 9859280
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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(2,3-dichlorophenoxy)methyl]-3-fluoroprop-2-en-1-amine?
The IUPAC name of (Z)-2-[(2,3-dichlorophenoxy)methyl]-3-fluoroprop-2-en-1-amine (CID 58852392) is (Z)-2-[(2,3-dichlorophenoxy)methyl]-3-fluoroprop-2-en-1-amine.
What is the SMILES notation for (Z)-2-[(2,3-dichlorophenoxy)methyl]-3-fluoroprop-2-en-1-amine?
The canonical SMILES for (Z)-2-[(2,3-dichlorophenoxy)methyl]-3-fluoroprop-2-en-1-amine is NC/C(=C/F)COc1cccc(Cl)c1Cl.
What is the InChIKey of (Z)-2-[(2,3-dichlorophenoxy)methyl]-3-fluoroprop-2-en-1-amine?
The InChIKey is DSLWCSJROKUOFA-DAXSKMNVSA-N. The full InChI is InChI=1S/C10H10Cl2FNO/c11-8-2-1-3-9(10(8)12)15-6-7(4-13)5-14/h1-4H,5-6,14H2/b7-4-.
What are the key properties of (Z)-2-[(2,3-dichlorophenoxy)methyl]-3-fluoroprop-2-en-1-amine?
(Z)-2-[(2,3-dichlorophenoxy)methyl]-3-fluoroprop-2-en-1-amine has a molecular weight of 250.10 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(2,3-dichlorophenoxy)methyl]-3-fluoroprop-2-en-1-amine is sourced from PubChem (CID 58852392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).