1,1,2-trifluoro-1-phenylbutan-2-amine

C10H12F3N — CID 71076868

IUPAC1,1,2-trifluoro-1-phenylbutan-2-amine
SMILESCCC(N)(F)C(F)(F)c1ccccc1
InChIInChI=1S/C10H12F3N/c1-2-9(11,14)10(12,13)8-6-4-3-5-7-8/h3-7H,2,14H2,1H3
InChIKeyWWNDYVYCOPCNNT-UHFFFAOYSA-N
MW203.21 g/mol
LogP2.81
Rot. Bonds3

About 1,1,2-trifluoro-1-phenylbutan-2-amine

1,1,2-trifluoro-1-phenylbutan-2-amine (PubChem CID 71076868) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 1,1,2-trifluoro-1-phenylbutan-2-amine.

Molecular Properties

Compound Name1,1,2-trifluoro-1-phenylbutan-2-amine
PubChem CID71076868
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name1,1,2-trifluoro-1-phenylbutan-2-amine
SMILESCCC(N)(F)C(F)(F)c1ccccc1
InChIInChI=1S/C10H12F3N/c1-2-9(11,14)10(12,13)8-6-4-3-5-7-8/h3-7H,2,14H2,1H3
InChIKeyWWNDYVYCOPCNNT-UHFFFAOYSA-N
XLogP2.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-1-phenylbutan-2-amine?
The IUPAC name of 1,1,2-trifluoro-1-phenylbutan-2-amine (CID 71076868) is 1,1,2-trifluoro-1-phenylbutan-2-amine.
What is the SMILES notation for 1,1,2-trifluoro-1-phenylbutan-2-amine?
The canonical SMILES for 1,1,2-trifluoro-1-phenylbutan-2-amine is CCC(N)(F)C(F)(F)c1ccccc1.
What is the InChIKey of 1,1,2-trifluoro-1-phenylbutan-2-amine?
The InChIKey is WWNDYVYCOPCNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-2-9(11,14)10(12,13)8-6-4-3-5-7-8/h3-7H,2,14H2,1H3.
What are the key properties of 1,1,2-trifluoro-1-phenylbutan-2-amine?
1,1,2-trifluoro-1-phenylbutan-2-amine has a molecular weight of 203.21 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-1-phenylbutan-2-amine is sourced from PubChem (CID 71076868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).