[2-(3-chloro-2-fluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine

C13H15ClFNO — CID 122442268

IUPAC[2-(3-chloro-2-fluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine
SMILESC=CCOc1ccc(Cl)c(F)c1C1CC1CN
InChIInChI=1S/C13H15ClFNO/c1-2-5-17-11-4-3-10(14)13(15)12(11)9-6-8(9)7-16/h2-4,8-9H,1,5-7,16H2
InChIKeyCKXYVEKDUJIGCW-UHFFFAOYSA-N
MW255.72 g/mol
LogP3.11
Rot. Bonds5

About [2-(3-chloro-2-fluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine

[2-(3-chloro-2-fluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine (PubChem CID 122442268) has the molecular formula C13H15ClFNO and a molecular weight of 255.72 g/mol. Its IUPAC name is [2-(3-chloro-2-fluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[2-(3-chloro-2-fluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine
PubChem CID122442268
Molecular FormulaC13H15ClFNO
Molecular Weight255.72 g/mol
Exact Mass255.08
IUPAC Name[2-(3-chloro-2-fluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine
SMILESC=CCOc1ccc(Cl)c(F)c1C1CC1CN
InChIInChI=1S/C13H15ClFNO/c1-2-5-17-11-4-3-10(14)13(15)12(11)9-6-8(9)7-16/h2-4,8-9H,1,5-7,16H2
InChIKeyCKXYVEKDUJIGCW-UHFFFAOYSA-N
XLogP3.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-2-fluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine?
The IUPAC name of [2-(3-chloro-2-fluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine (CID 122442268) is [2-(3-chloro-2-fluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [2-(3-chloro-2-fluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine?
The canonical SMILES for [2-(3-chloro-2-fluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine is C=CCOc1ccc(Cl)c(F)c1C1CC1CN.
What is the InChIKey of [2-(3-chloro-2-fluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine?
The InChIKey is CKXYVEKDUJIGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO/c1-2-5-17-11-4-3-10(14)13(15)12(11)9-6-8(9)7-16/h2-4,8-9H,1,5-7,16H2.
What are the key properties of [2-(3-chloro-2-fluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine?
[2-(3-chloro-2-fluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine has a molecular weight of 255.72 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-2-fluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 122442268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).