1,1,2-trifluoro-N,N,4-trimethylpent-1-en-3-amine

C8H14F3N — CID 15414775

IUPAC1,1,2-trifluoro-N,N,4-trimethylpent-1-en-3-amine
SMILESCC(C)C(C(F)=C(F)F)N(C)C
InChIInChI=1S/C8H14F3N/c1-5(2)7(12(3)4)6(9)8(10)11/h5,7H,1-4H3
InChIKeyRCHSINHJSNTDNB-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.65
Rot. Bonds3

About 1,1,2-trifluoro-N,N,4-trimethylpent-1-en-3-amine

1,1,2-trifluoro-N,N,4-trimethylpent-1-en-3-amine (PubChem CID 15414775) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is 1,1,2-trifluoro-N,N,4-trimethylpent-1-en-3-amine.

Molecular Properties

Compound Name1,1,2-trifluoro-N,N,4-trimethylpent-1-en-3-amine
PubChem CID15414775
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name1,1,2-trifluoro-N,N,4-trimethylpent-1-en-3-amine
SMILESCC(C)C(C(F)=C(F)F)N(C)C
InChIInChI=1S/C8H14F3N/c1-5(2)7(12(3)4)6(9)8(10)11/h5,7H,1-4H3
InChIKeyRCHSINHJSNTDNB-UHFFFAOYSA-N
XLogP2.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-N,N,4-trimethylpent-1-en-3-amine?
The IUPAC name of 1,1,2-trifluoro-N,N,4-trimethylpent-1-en-3-amine (CID 15414775) is 1,1,2-trifluoro-N,N,4-trimethylpent-1-en-3-amine.
What is the SMILES notation for 1,1,2-trifluoro-N,N,4-trimethylpent-1-en-3-amine?
The canonical SMILES for 1,1,2-trifluoro-N,N,4-trimethylpent-1-en-3-amine is CC(C)C(C(F)=C(F)F)N(C)C.
What is the InChIKey of 1,1,2-trifluoro-N,N,4-trimethylpent-1-en-3-amine?
The InChIKey is RCHSINHJSNTDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N/c1-5(2)7(12(3)4)6(9)8(10)11/h5,7H,1-4H3.
What are the key properties of 1,1,2-trifluoro-N,N,4-trimethylpent-1-en-3-amine?
1,1,2-trifluoro-N,N,4-trimethylpent-1-en-3-amine has a molecular weight of 181.20 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-N,N,4-trimethylpent-1-en-3-amine is sourced from PubChem (CID 15414775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).