2-(2-cyclopropylphenyl)-2,2-difluoroethanamine;hydrochloride

C11H14ClF2N — CID 155822751

IUPAC2-(2-cyclopropylphenyl)-2,2-difluoroethanamine;hydrochloride
SMILESCl.NCC(F)(F)c1ccccc1C1CC1
InChIInChI=1S/C11H13F2N.ClH/c12-11(13,7-14)10-4-2-1-3-9(10)8-5-6-8;/h1-4,8H,5-7,14H2;1H
InChIKeyOIPJPYRIMVCZNM-UHFFFAOYSA-N
MW233.69 g/mol
LogP3.04
Rot. Bonds3

About 2-(2-cyclopropylphenyl)-2,2-difluoroethanamine;hydrochloride

2-(2-cyclopropylphenyl)-2,2-difluoroethanamine;hydrochloride (PubChem CID 155822751) has the molecular formula C11H14ClF2N and a molecular weight of 233.69 g/mol. Its IUPAC name is 2-(2-cyclopropylphenyl)-2,2-difluoroethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-cyclopropylphenyl)-2,2-difluoroethanamine;hydrochloride
PubChem CID155822751
Molecular FormulaC11H14ClF2N
Molecular Weight233.69 g/mol
Exact Mass233.08
IUPAC Name2-(2-cyclopropylphenyl)-2,2-difluoroethanamine;hydrochloride
SMILESCl.NCC(F)(F)c1ccccc1C1CC1
InChIInChI=1S/C11H13F2N.ClH/c12-11(13,7-14)10-4-2-1-3-9(10)8-5-6-8;/h1-4,8H,5-7,14H2;1H
InChIKeyOIPJPYRIMVCZNM-UHFFFAOYSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.69
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylphenyl)-2,2-difluoroethanamine;hydrochloride?
The IUPAC name of 2-(2-cyclopropylphenyl)-2,2-difluoroethanamine;hydrochloride (CID 155822751) is 2-(2-cyclopropylphenyl)-2,2-difluoroethanamine;hydrochloride.
What is the SMILES notation for 2-(2-cyclopropylphenyl)-2,2-difluoroethanamine;hydrochloride?
The canonical SMILES for 2-(2-cyclopropylphenyl)-2,2-difluoroethanamine;hydrochloride is Cl.NCC(F)(F)c1ccccc1C1CC1.
What is the InChIKey of 2-(2-cyclopropylphenyl)-2,2-difluoroethanamine;hydrochloride?
The InChIKey is OIPJPYRIMVCZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N.ClH/c12-11(13,7-14)10-4-2-1-3-9(10)8-5-6-8;/h1-4,8H,5-7,14H2;1H.
What are the key properties of 2-(2-cyclopropylphenyl)-2,2-difluoroethanamine;hydrochloride?
2-(2-cyclopropylphenyl)-2,2-difluoroethanamine;hydrochloride has a molecular weight of 233.69 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylphenyl)-2,2-difluoroethanamine;hydrochloride is sourced from PubChem (CID 155822751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).