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

C13H16Cl2FNO — CID 127026867

IUPAC[2-(2-chloro-3-fluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride
SMILESC=CCOc1ccc(F)c(Cl)c1C1CC1CN.Cl
InChIInChI=1S/C13H15ClFNO.ClH/c1-2-5-17-11-4-3-10(15)13(14)12(11)9-6-8(9)7-16;/h2-4,8-9H,1,5-7,16H2;1H
InChIKeyLRBSQHMAQKLHOS-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.53
Rot. Bonds5

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

[2-(2-chloro-3-fluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride (PubChem CID 127026867) has the molecular formula C13H16Cl2FNO and a molecular weight of 292.18 g/mol. Its IUPAC name is [2-(2-chloro-3-fluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-(2-chloro-3-fluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride
PubChem CID127026867
Molecular FormulaC13H16Cl2FNO
Molecular Weight292.18 g/mol
Exact Mass291.06
IUPAC Name[2-(2-chloro-3-fluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride
SMILESC=CCOc1ccc(F)c(Cl)c1C1CC1CN.Cl
InChIInChI=1S/C13H15ClFNO.ClH/c1-2-5-17-11-4-3-10(15)13(14)12(11)9-6-8(9)7-16;/h2-4,8-9H,1,5-7,16H2;1H
InChIKeyLRBSQHMAQKLHOS-UHFFFAOYSA-N
XLogP3.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.53
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-(2-chloro-3-fluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [2-(2-chloro-3-fluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride (CID 127026867) is [2-(2-chloro-3-fluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [2-(2-chloro-3-fluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [2-(2-chloro-3-fluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride is C=CCOc1ccc(F)c(Cl)c1C1CC1CN.Cl.
What is the InChIKey of [2-(2-chloro-3-fluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride?
The InChIKey is LRBSQHMAQKLHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO.ClH/c1-2-5-17-11-4-3-10(15)13(14)12(11)9-6-8(9)7-16;/h2-4,8-9H,1,5-7,16H2;1H.
What are the key properties of [2-(2-chloro-3-fluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride?
[2-(2-chloro-3-fluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride has a molecular weight of 292.18 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-3-fluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 127026867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).