(1R)-1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]ethanamine

C11H12Cl2FNO — CID 107718553

IUPAC(1R)-1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]ethanamine
SMILESC[C@@H](N)c1ccc(OC/C(Cl)=C/Cl)cc1F
InChIInChI=1S/C11H12Cl2FNO/c1-7(15)10-3-2-9(4-11(10)14)16-6-8(13)5-12/h2-5,7H,6,15H2,1H3/b8-5-/t7-/m1/s1
InChIKeyIDAJOQYHWGWXSV-BESBCXERSA-N
MW264.13 g/mol
LogP3.54
Rot. Bonds4

About (1R)-1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]ethanamine

(1R)-1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]ethanamine (PubChem CID 107718553) has the molecular formula C11H12Cl2FNO and a molecular weight of 264.13 g/mol. Its IUPAC name is (1R)-1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]ethanamine
PubChem CID107718553
Molecular FormulaC11H12Cl2FNO
Molecular Weight264.13 g/mol
Exact Mass263.03
IUPAC Name(1R)-1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]ethanamine
SMILESC[C@@H](N)c1ccc(OC/C(Cl)=C/Cl)cc1F
InChIInChI=1S/C11H12Cl2FNO/c1-7(15)10-3-2-9(4-11(10)14)16-6-8(13)5-12/h2-5,7H,6,15H2,1H3/b8-5-/t7-/m1/s1
InChIKeyIDAJOQYHWGWXSV-BESBCXERSA-N
XLogP3.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.13
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]-N-ethylethanamine
CID 107717512
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol
CID 107718833
(1R)-1-[4-[(E)-3-chloroprop-2-enoxy]-2-fluorophenyl]ethanamine
CID 107718193
(1R)-1-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine
CID 79168187
(1R)-1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine
CID 107718259
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-prop-2-enylacetamide
CID 107719071
1-[4-[(4-ethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107715998
(1S)-1-[4-[(3-chloro-4-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718633
2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide
CID 107716121
(1S)-1-[2-fluoro-4-(2-methylbutoxy)phenyl]ethanamine
CID 107718803
1-[2-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine
CID 107716078
4-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-2-methylbutan-2-ol
CID 107718883

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]ethanamine?
The IUPAC name of (1R)-1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]ethanamine (CID 107718553) is (1R)-1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]ethanamine is C[C@@H](N)c1ccc(OC/C(Cl)=C/Cl)cc1F.
What is the InChIKey of (1R)-1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]ethanamine?
The InChIKey is IDAJOQYHWGWXSV-BESBCXERSA-N. The full InChI is InChI=1S/C11H12Cl2FNO/c1-7(15)10-3-2-9(4-11(10)14)16-6-8(13)5-12/h2-5,7H,6,15H2,1H3/b8-5-/t7-/m1/s1.
What are the key properties of (1R)-1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]ethanamine?
(1R)-1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]ethanamine has a molecular weight of 264.13 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]ethanamine is sourced from PubChem (CID 107718553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).