(1R)-1-[4-(difluoromethyl)phenyl]-N-methylethanamine;ethane

C12H19F2N — CID 143698320

IUPAC(1R)-1-[4-(difluoromethyl)phenyl]-N-methylethanamine;ethane
SMILESCC.CN[C@H](C)c1ccc(C(F)F)cc1
InChIInChI=1S/C10H13F2N.C2H6/c1-7(13-2)8-3-5-9(6-4-8)10(11)12;1-2/h3-7,10,13H,1-2H3;1-2H3/t7-;/m1./s1
InChIKeyVJTGFBDCRIKEFO-OGFXRTJISA-N
MW215.29 g/mol
LogP3.93
Rot. Bonds3

About (1R)-1-[4-(difluoromethyl)phenyl]-N-methylethanamine;ethane

(1R)-1-[4-(difluoromethyl)phenyl]-N-methylethanamine;ethane (PubChem CID 143698320) has the molecular formula C12H19F2N and a molecular weight of 215.29 g/mol. Its IUPAC name is (1R)-1-[4-(difluoromethyl)phenyl]-N-methylethanamine;ethane.

Molecular Properties

Compound Name(1R)-1-[4-(difluoromethyl)phenyl]-N-methylethanamine;ethane
PubChem CID143698320
Molecular FormulaC12H19F2N
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(1R)-1-[4-(difluoromethyl)phenyl]-N-methylethanamine;ethane
SMILESCC.CN[C@H](C)c1ccc(C(F)F)cc1
InChIInChI=1S/C10H13F2N.C2H6/c1-7(13-2)8-3-5-9(6-4-8)10(11)12;1-2/h3-7,10,13H,1-2H3;1-2H3/t7-;/m1./s1
InChIKeyVJTGFBDCRIKEFO-OGFXRTJISA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R)-1-[4-(difluoromethyl)phenyl]-N-methylethanamine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(difluoromethyl)phenyl]-N-methylethanamine;ethane?
The IUPAC name of (1R)-1-[4-(difluoromethyl)phenyl]-N-methylethanamine;ethane (CID 143698320) is (1R)-1-[4-(difluoromethyl)phenyl]-N-methylethanamine;ethane.
What is the SMILES notation for (1R)-1-[4-(difluoromethyl)phenyl]-N-methylethanamine;ethane?
The canonical SMILES for (1R)-1-[4-(difluoromethyl)phenyl]-N-methylethanamine;ethane is CC.CN[C@H](C)c1ccc(C(F)F)cc1.
What is the InChIKey of (1R)-1-[4-(difluoromethyl)phenyl]-N-methylethanamine;ethane?
The InChIKey is VJTGFBDCRIKEFO-OGFXRTJISA-N. The full InChI is InChI=1S/C10H13F2N.C2H6/c1-7(13-2)8-3-5-9(6-4-8)10(11)12;1-2/h3-7,10,13H,1-2H3;1-2H3/t7-;/m1./s1.
What are the key properties of (1R)-1-[4-(difluoromethyl)phenyl]-N-methylethanamine;ethane?
(1R)-1-[4-(difluoromethyl)phenyl]-N-methylethanamine;ethane has a molecular weight of 215.29 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(difluoromethyl)phenyl]-N-methylethanamine;ethane is sourced from PubChem (CID 143698320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).