1-[4-(3,3-difluoropropyl)phenyl]-2-methylpropan-2-amine

C13H19F2N — CID 117327303

IUPAC1-[4-(3,3-difluoropropyl)phenyl]-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1ccc(CCC(F)F)cc1
InChIInChI=1S/C13H19F2N/c1-13(2,16)9-11-5-3-10(4-6-11)7-8-12(14)15/h3-6,12H,7-9,16H2,1-2H3
InChIKeyVJSGPTKNHAFVLD-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.16
Rot. Bonds5

About 1-[4-(3,3-difluoropropyl)phenyl]-2-methylpropan-2-amine

1-[4-(3,3-difluoropropyl)phenyl]-2-methylpropan-2-amine (PubChem CID 117327303) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is 1-[4-(3,3-difluoropropyl)phenyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[4-(3,3-difluoropropyl)phenyl]-2-methylpropan-2-amine
PubChem CID117327303
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name1-[4-(3,3-difluoropropyl)phenyl]-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1ccc(CCC(F)F)cc1
InChIInChI=1S/C13H19F2N/c1-13(2,16)9-11-5-3-10(4-6-11)7-8-12(14)15/h3-6,12H,7-9,16H2,1-2H3
InChIKeyVJSGPTKNHAFVLD-UHFFFAOYSA-N
XLogP3.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,3-difluoropropyl)phenyl]-2-methylpropan-2-amine?
The IUPAC name of 1-[4-(3,3-difluoropropyl)phenyl]-2-methylpropan-2-amine (CID 117327303) is 1-[4-(3,3-difluoropropyl)phenyl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[4-(3,3-difluoropropyl)phenyl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[4-(3,3-difluoropropyl)phenyl]-2-methylpropan-2-amine is CC(C)(N)Cc1ccc(CCC(F)F)cc1.
What is the InChIKey of 1-[4-(3,3-difluoropropyl)phenyl]-2-methylpropan-2-amine?
The InChIKey is VJSGPTKNHAFVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-13(2,16)9-11-5-3-10(4-6-11)7-8-12(14)15/h3-6,12H,7-9,16H2,1-2H3.
What are the key properties of 1-[4-(3,3-difluoropropyl)phenyl]-2-methylpropan-2-amine?
1-[4-(3,3-difluoropropyl)phenyl]-2-methylpropan-2-amine has a molecular weight of 227.30 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,3-difluoropropyl)phenyl]-2-methylpropan-2-amine is sourced from PubChem (CID 117327303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).