2-(2-tert-butylphenyl)-2,2-difluoroethanamine

C12H17F2N — CID 105425410

IUPAC2-(2-tert-butylphenyl)-2,2-difluoroethanamine
SMILESCC(C)(C)c1ccccc1C(F)(F)CN
InChIInChI=1S/C12H17F2N/c1-11(2,3)9-6-4-5-7-10(9)12(13,14)8-15/h4-7H,8,15H2,1-3H3
InChIKeyZJEZKYBBVKPKEC-UHFFFAOYSA-N
MW213.27 g/mol
LogP3.03
Rot. Bonds2

About 2-(2-tert-butylphenyl)-2,2-difluoroethanamine

2-(2-tert-butylphenyl)-2,2-difluoroethanamine (PubChem CID 105425410) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 2-(2-tert-butylphenyl)-2,2-difluoroethanamine.

Molecular Properties

Compound Name2-(2-tert-butylphenyl)-2,2-difluoroethanamine
PubChem CID105425410
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name2-(2-tert-butylphenyl)-2,2-difluoroethanamine
SMILESCC(C)(C)c1ccccc1C(F)(F)CN
InChIInChI=1S/C12H17F2N/c1-11(2,3)9-6-4-5-7-10(9)12(13,14)8-15/h4-7H,8,15H2,1-3H3
InChIKeyZJEZKYBBVKPKEC-UHFFFAOYSA-N
XLogP3.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenyl)-2,2-difluoroethanamine?
The IUPAC name of 2-(2-tert-butylphenyl)-2,2-difluoroethanamine (CID 105425410) is 2-(2-tert-butylphenyl)-2,2-difluoroethanamine.
What is the SMILES notation for 2-(2-tert-butylphenyl)-2,2-difluoroethanamine?
The canonical SMILES for 2-(2-tert-butylphenyl)-2,2-difluoroethanamine is CC(C)(C)c1ccccc1C(F)(F)CN.
What is the InChIKey of 2-(2-tert-butylphenyl)-2,2-difluoroethanamine?
The InChIKey is ZJEZKYBBVKPKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-11(2,3)9-6-4-5-7-10(9)12(13,14)8-15/h4-7H,8,15H2,1-3H3.
What are the key properties of 2-(2-tert-butylphenyl)-2,2-difluoroethanamine?
2-(2-tert-butylphenyl)-2,2-difluoroethanamine has a molecular weight of 213.27 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenyl)-2,2-difluoroethanamine is sourced from PubChem (CID 105425410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).