[2-(2,3-difluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride

C13H16ClF2NO — CID 127029036

IUPAC[2-(2,3-difluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride
SMILESC=CCOc1ccc(F)c(F)c1C1CC1CN.Cl
InChIInChI=1S/C13H15F2NO.ClH/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;1H
InChIKeyYASCELUJQFTHGR-UHFFFAOYSA-N
MW275.73 g/mol
LogP3.01
Rot. Bonds5

About [2-(2,3-difluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride

[2-(2,3-difluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride (PubChem CID 127029036) has the molecular formula C13H16ClF2NO and a molecular weight of 275.73 g/mol. Its IUPAC name is [2-(2,3-difluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-(2,3-difluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride
PubChem CID127029036
Molecular FormulaC13H16ClF2NO
Molecular Weight275.73 g/mol
Exact Mass275.09
IUPAC Name[2-(2,3-difluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride
SMILESC=CCOc1ccc(F)c(F)c1C1CC1CN.Cl
InChIInChI=1S/C13H15F2NO.ClH/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;1H
InChIKeyYASCELUJQFTHGR-UHFFFAOYSA-N
XLogP3.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.73
LogP ≤ 53.01
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-(2,3-difluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [2-(2,3-difluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride (CID 127029036) is [2-(2,3-difluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [2-(2,3-difluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [2-(2,3-difluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride is C=CCOc1ccc(F)c(F)c1C1CC1CN.Cl.
What is the InChIKey of [2-(2,3-difluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride?
The InChIKey is YASCELUJQFTHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO.ClH/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;1H.
What are the key properties of [2-(2,3-difluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride?
[2-(2,3-difluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride has a molecular weight of 275.73 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-difluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 127029036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).