1,1-difluoro-1-phenylpropan-2-amine

C9H11F2N — CID 12570687

IUPAC1,1-difluoro-1-phenylpropan-2-amine
SMILESCC(N)C(F)(F)c1ccccc1
InChIInChI=1S/C9H11F2N/c1-7(12)9(10,11)8-5-3-2-4-6-8/h2-7H,12H2,1H3
InChIKeyCTOGXYQJJYYTRC-UHFFFAOYSA-N
MW171.19 g/mol
LogP2.13
Rot. Bonds2

About 1,1-difluoro-1-phenylpropan-2-amine

1,1-difluoro-1-phenylpropan-2-amine (PubChem CID 12570687) has the molecular formula C9H11F2N and a molecular weight of 171.19 g/mol. Its IUPAC name is 1,1-difluoro-1-phenylpropan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-1-phenylpropan-2-amine
PubChem CID12570687
Molecular FormulaC9H11F2N
Molecular Weight171.19 g/mol
Exact Mass171.09
IUPAC Name1,1-difluoro-1-phenylpropan-2-amine
SMILESCC(N)C(F)(F)c1ccccc1
InChIInChI=1S/C9H11F2N/c1-7(12)9(10,11)8-5-3-2-4-6-8/h2-7H,12H2,1H3
InChIKeyCTOGXYQJJYYTRC-UHFFFAOYSA-N
XLogP2.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.19
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-phenylpropan-2-amine?
The IUPAC name of 1,1-difluoro-1-phenylpropan-2-amine (CID 12570687) is 1,1-difluoro-1-phenylpropan-2-amine.
What is the SMILES notation for 1,1-difluoro-1-phenylpropan-2-amine?
The canonical SMILES for 1,1-difluoro-1-phenylpropan-2-amine is CC(N)C(F)(F)c1ccccc1.
What is the InChIKey of 1,1-difluoro-1-phenylpropan-2-amine?
The InChIKey is CTOGXYQJJYYTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N/c1-7(12)9(10,11)8-5-3-2-4-6-8/h2-7H,12H2,1H3.
What are the key properties of 1,1-difluoro-1-phenylpropan-2-amine?
1,1-difluoro-1-phenylpropan-2-amine has a molecular weight of 171.19 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-phenylpropan-2-amine is sourced from PubChem (CID 12570687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).