N-[1-(4-ethyl-3-prop-1-en-2-ylphenyl)ethenyl]-1,1,1-trifluoropropan-2-amine

C16H20F3N — CID 134549798

IUPACN-[1-(4-ethyl-3-prop-1-en-2-ylphenyl)ethenyl]-1,1,1-trifluoropropan-2-amine
SMILESC=C(NC(C)C(F)(F)F)c1ccc(CC)c(C(=C)C)c1
InChIInChI=1S/C16H20F3N/c1-6-13-7-8-14(9-15(13)10(2)3)11(4)20-12(5)16(17,18)19/h7-9,12,20H,2,4,6H2,1,3,5H3
InChIKeySRXBXUZZKMSWPX-UHFFFAOYSA-N
MW283.34 g/mol
LogP4.79
Rot. Bonds5

About N-[1-(4-ethyl-3-prop-1-en-2-ylphenyl)ethenyl]-1,1,1-trifluoropropan-2-amine

N-[1-(4-ethyl-3-prop-1-en-2-ylphenyl)ethenyl]-1,1,1-trifluoropropan-2-amine (PubChem CID 134549798) has the molecular formula C16H20F3N and a molecular weight of 283.34 g/mol. Its IUPAC name is N-[1-(4-ethyl-3-prop-1-en-2-ylphenyl)ethenyl]-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound NameN-[1-(4-ethyl-3-prop-1-en-2-ylphenyl)ethenyl]-1,1,1-trifluoropropan-2-amine
PubChem CID134549798
Molecular FormulaC16H20F3N
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC NameN-[1-(4-ethyl-3-prop-1-en-2-ylphenyl)ethenyl]-1,1,1-trifluoropropan-2-amine
SMILESC=C(NC(C)C(F)(F)F)c1ccc(CC)c(C(=C)C)c1
InChIInChI=1S/C16H20F3N/c1-6-13-7-8-14(9-15(13)10(2)3)11(4)20-12(5)16(17,18)19/h7-9,12,20H,2,4,6H2,1,3,5H3
InChIKeySRXBXUZZKMSWPX-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethyl-3-prop-1-en-2-ylphenyl)ethenyl]-1,1,1-trifluoropropan-2-amine?
The IUPAC name of N-[1-(4-ethyl-3-prop-1-en-2-ylphenyl)ethenyl]-1,1,1-trifluoropropan-2-amine (CID 134549798) is N-[1-(4-ethyl-3-prop-1-en-2-ylphenyl)ethenyl]-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for N-[1-(4-ethyl-3-prop-1-en-2-ylphenyl)ethenyl]-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for N-[1-(4-ethyl-3-prop-1-en-2-ylphenyl)ethenyl]-1,1,1-trifluoropropan-2-amine is C=C(NC(C)C(F)(F)F)c1ccc(CC)c(C(=C)C)c1.
What is the InChIKey of N-[1-(4-ethyl-3-prop-1-en-2-ylphenyl)ethenyl]-1,1,1-trifluoropropan-2-amine?
The InChIKey is SRXBXUZZKMSWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N/c1-6-13-7-8-14(9-15(13)10(2)3)11(4)20-12(5)16(17,18)19/h7-9,12,20H,2,4,6H2,1,3,5H3.
What are the key properties of N-[1-(4-ethyl-3-prop-1-en-2-ylphenyl)ethenyl]-1,1,1-trifluoropropan-2-amine?
N-[1-(4-ethyl-3-prop-1-en-2-ylphenyl)ethenyl]-1,1,1-trifluoropropan-2-amine has a molecular weight of 283.34 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethyl-3-prop-1-en-2-ylphenyl)ethenyl]-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 134549798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).