1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]-N-ethylethanamine

C13H16Cl2FNO — CID 107717512

IUPAC1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(OC/C(Cl)=C/Cl)cc1F
InChIInChI=1S/C13H16Cl2FNO/c1-3-17-9(2)12-5-4-11(6-13(12)16)18-8-10(15)7-14/h4-7,9,17H,3,8H2,1-2H3/b10-7-
InChIKeyIUAYHDBBMAQFMV-YFHOEESVSA-N
MW292.18 g/mol
LogP4.19
Rot. Bonds6

About 1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]-N-ethylethanamine

1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]-N-ethylethanamine (PubChem CID 107717512) has the molecular formula C13H16Cl2FNO and a molecular weight of 292.18 g/mol. Its IUPAC name is 1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]-N-ethylethanamine
PubChem CID107717512
Molecular FormulaC13H16Cl2FNO
Molecular Weight292.18 g/mol
Exact Mass291.06
IUPAC Name1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(OC/C(Cl)=C/Cl)cc1F
InChIInChI=1S/C13H16Cl2FNO/c1-3-17-9(2)12-5-4-11(6-13(12)16)18-8-10(15)7-14/h4-7,9,17H,3,8H2,1-2H3/b10-7-
InChIKeyIUAYHDBBMAQFMV-YFHOEESVSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]ethanamine
CID 107718553
2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-N,N-dimethylacetamide
CID 107717208
N-[1-[4-(2-chloroprop-2-enoxy)-2-fluorophenyl]ethyl]propan-1-amine
CID 107717673
N-ethyl-1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 107717110
1-[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]-N-ethylethanamine
CID 79167893
N-butyl-2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]acetamide
CID 107717501
1-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-2,3-dimethylbutan-2-ol
CID 107717321
N-ethyl-1-[2-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 107717423
3-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]butan-2-ol
CID 107717129
1-(4-butan-2-yloxy-2-fluorophenyl)-N-ethylethanamine
CID 107717175
1-[4-(2-butoxyethoxy)-2-fluorophenyl]-N-ethylethanamine
CID 107717524
2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-methylacetamide
CID 107716600

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]-N-ethylethanamine?
The IUPAC name of 1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]-N-ethylethanamine (CID 107717512) is 1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]-N-ethylethanamine?
The canonical SMILES for 1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]-N-ethylethanamine is CCNC(C)c1ccc(OC/C(Cl)=C/Cl)cc1F.
What is the InChIKey of 1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]-N-ethylethanamine?
The InChIKey is IUAYHDBBMAQFMV-YFHOEESVSA-N. The full InChI is InChI=1S/C13H16Cl2FNO/c1-3-17-9(2)12-5-4-11(6-13(12)16)18-8-10(15)7-14/h4-7,9,17H,3,8H2,1-2H3/b10-7-.
What are the key properties of 1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]-N-ethylethanamine?
1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]-N-ethylethanamine has a molecular weight of 292.18 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]-N-ethylethanamine is sourced from PubChem (CID 107717512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).