N-ethyl-1,1,1-trifluoro-2-phenylbutan-2-amine

C12H16F3N — CID 66204953

IUPACN-ethyl-1,1,1-trifluoro-2-phenylbutan-2-amine
SMILESCCNC(CC)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C12H16F3N/c1-3-11(16-4-2,12(13,14)15)10-8-6-5-7-9-10/h5-9,16H,3-4H2,1-2H3
InChIKeyXCMXNFFXHHBMLL-UHFFFAOYSA-N
MW231.26 g/mol
LogP3.46
Rot. Bonds4

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

N-ethyl-1,1,1-trifluoro-2-phenylbutan-2-amine (PubChem CID 66204953) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoro-2-phenylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoro-2-phenylbutan-2-amine
PubChem CID66204953
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC NameN-ethyl-1,1,1-trifluoro-2-phenylbutan-2-amine
SMILESCCNC(CC)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C12H16F3N/c1-3-11(16-4-2,12(13,14)15)10-8-6-5-7-9-10/h5-9,16H,3-4H2,1-2H3
InChIKeyXCMXNFFXHHBMLL-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,1-trifluoro-2-phenylbutan-2-amine?
The IUPAC name of N-ethyl-1,1,1-trifluoro-2-phenylbutan-2-amine (CID 66204953) is N-ethyl-1,1,1-trifluoro-2-phenylbutan-2-amine.
What is the SMILES notation for N-ethyl-1,1,1-trifluoro-2-phenylbutan-2-amine?
The canonical SMILES for N-ethyl-1,1,1-trifluoro-2-phenylbutan-2-amine is CCNC(CC)(c1ccccc1)C(F)(F)F.
What is the InChIKey of N-ethyl-1,1,1-trifluoro-2-phenylbutan-2-amine?
The InChIKey is XCMXNFFXHHBMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N/c1-3-11(16-4-2,12(13,14)15)10-8-6-5-7-9-10/h5-9,16H,3-4H2,1-2H3.
What are the key properties of N-ethyl-1,1,1-trifluoro-2-phenylbutan-2-amine?
N-ethyl-1,1,1-trifluoro-2-phenylbutan-2-amine has a molecular weight of 231.26 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,1-trifluoro-2-phenylbutan-2-amine is sourced from PubChem (CID 66204953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).