2-[3-(1,1-difluoroethyl)phenyl]-2-methylpropan-1-amine

C12H17F2N — CID 116992430

IUPAC2-[3-(1,1-difluoroethyl)phenyl]-2-methylpropan-1-amine
SMILESCC(F)(F)c1cccc(C(C)(C)CN)c1
InChIInChI=1S/C12H17F2N/c1-11(2,8-15)9-5-4-6-10(7-9)12(3,13)14/h4-7H,8,15H2,1-3H3
InChIKeySVJWUYGRJOFDLQ-UHFFFAOYSA-N
MW213.27 g/mol
LogP3.03
Rot. Bonds3

About 2-[3-(1,1-difluoroethyl)phenyl]-2-methylpropan-1-amine

2-[3-(1,1-difluoroethyl)phenyl]-2-methylpropan-1-amine (PubChem CID 116992430) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 2-[3-(1,1-difluoroethyl)phenyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[3-(1,1-difluoroethyl)phenyl]-2-methylpropan-1-amine
PubChem CID116992430
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name2-[3-(1,1-difluoroethyl)phenyl]-2-methylpropan-1-amine
SMILESCC(F)(F)c1cccc(C(C)(C)CN)c1
InChIInChI=1S/C12H17F2N/c1-11(2,8-15)9-5-4-6-10(7-9)12(3,13)14/h4-7H,8,15H2,1-3H3
InChIKeySVJWUYGRJOFDLQ-UHFFFAOYSA-N
XLogP3.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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-[3-(1,1-difluoroethyl)phenyl]-2-methylpropan-1-amine?
The IUPAC name of 2-[3-(1,1-difluoroethyl)phenyl]-2-methylpropan-1-amine (CID 116992430) is 2-[3-(1,1-difluoroethyl)phenyl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-[3-(1,1-difluoroethyl)phenyl]-2-methylpropan-1-amine?
The canonical SMILES for 2-[3-(1,1-difluoroethyl)phenyl]-2-methylpropan-1-amine is CC(F)(F)c1cccc(C(C)(C)CN)c1.
What is the InChIKey of 2-[3-(1,1-difluoroethyl)phenyl]-2-methylpropan-1-amine?
The InChIKey is SVJWUYGRJOFDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-11(2,8-15)9-5-4-6-10(7-9)12(3,13)14/h4-7H,8,15H2,1-3H3.
What are the key properties of 2-[3-(1,1-difluoroethyl)phenyl]-2-methylpropan-1-amine?
2-[3-(1,1-difluoroethyl)phenyl]-2-methylpropan-1-amine has a molecular weight of 213.27 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,1-difluoroethyl)phenyl]-2-methylpropan-1-amine is sourced from PubChem (CID 116992430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).