[2-(2-chloroprop-2-enoxy)-5-fluorophenyl]methanamine

C10H11ClFNO — CID 107694806

IUPAC[2-(2-chloroprop-2-enoxy)-5-fluorophenyl]methanamine
SMILESC=C(Cl)COc1ccc(F)cc1CN
InChIInChI=1S/C10H11ClFNO/c1-7(11)6-14-10-3-2-9(12)4-8(10)5-13/h2-4H,1,5-6,13H2
InChIKeyJVWVYVVZKHBXDZ-UHFFFAOYSA-N
MW215.66 g/mol
LogP2.42
Rot. Bonds4

About [2-(2-chloroprop-2-enoxy)-5-fluorophenyl]methanamine

[2-(2-chloroprop-2-enoxy)-5-fluorophenyl]methanamine (PubChem CID 107694806) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is [2-(2-chloroprop-2-enoxy)-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(2-chloroprop-2-enoxy)-5-fluorophenyl]methanamine
PubChem CID107694806
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC Name[2-(2-chloroprop-2-enoxy)-5-fluorophenyl]methanamine
SMILESC=C(Cl)COc1ccc(F)cc1CN
InChIInChI=1S/C10H11ClFNO/c1-7(11)6-14-10-3-2-9(12)4-8(10)5-13/h2-4H,1,5-6,13H2
InChIKeyJVWVYVVZKHBXDZ-UHFFFAOYSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-chloroprop-2-enoxy)-5-fluorophenyl]-N-methylmethanamine
CID 107695216
[2-(2-chloroprop-2-enoxy)-5-nitrophenyl]methanamine
CID 60889770
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
[2-(aminomethyl)-4-fluorophenoxy]boronic acid
CID 151062156
[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methanamine
CID 107694925
1-[2-(2-chloroprop-2-enoxy)-4-fluorophenyl]ethanone
CID 63067319
2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-cyanoethyl)acetamide
CID 107694739
[2-(aminomethyl)-4-fluorophenyl] acetate
CID 151844429
[5-chloro-2-(2-methylidenebutoxy)phenyl]methanamine
CID 66046375
2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylphenyl)acetamide
CID 107694923
[2-[(4-bromo-2-chlorophenyl)methoxy]-5-fluorophenyl]methanamine
CID 107694697
(5-fluoro-2-trimethylsilyloxyphenyl)methanamine
CID 167725830

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroprop-2-enoxy)-5-fluorophenyl]methanamine?
The IUPAC name of [2-(2-chloroprop-2-enoxy)-5-fluorophenyl]methanamine (CID 107694806) is [2-(2-chloroprop-2-enoxy)-5-fluorophenyl]methanamine.
What is the SMILES notation for [2-(2-chloroprop-2-enoxy)-5-fluorophenyl]methanamine?
The canonical SMILES for [2-(2-chloroprop-2-enoxy)-5-fluorophenyl]methanamine is C=C(Cl)COc1ccc(F)cc1CN.
What is the InChIKey of [2-(2-chloroprop-2-enoxy)-5-fluorophenyl]methanamine?
The InChIKey is JVWVYVVZKHBXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO/c1-7(11)6-14-10-3-2-9(12)4-8(10)5-13/h2-4H,1,5-6,13H2.
What are the key properties of [2-(2-chloroprop-2-enoxy)-5-fluorophenyl]methanamine?
[2-(2-chloroprop-2-enoxy)-5-fluorophenyl]methanamine has a molecular weight of 215.66 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroprop-2-enoxy)-5-fluorophenyl]methanamine is sourced from PubChem (CID 107694806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).