N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-amine

C8H14F3N — CID 586686

IUPACN-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-amine
SMILESC=C(N(C)CCCC)C(F)(F)F
InChIInChI=1S/C8H14F3N/c1-4-5-6-12(3)7(2)8(9,10)11/h2,4-6H2,1,3H3
InChIKeyBNGAAKBZQVZZFX-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.79
Rot. Bonds4

About N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-amine

N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-amine (PubChem CID 586686) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-amine
PubChem CID586686
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC NameN-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-amine
SMILESC=C(N(C)CCCC)C(F)(F)F
InChIInChI=1S/C8H14F3N/c1-4-5-6-12(3)7(2)8(9,10)11/h2,4-6H2,1,3H3
InChIKeyBNGAAKBZQVZZFX-UHFFFAOYSA-N
XLogP2.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-amine?
The IUPAC name of N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-amine (CID 586686) is N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-amine.
What is the SMILES notation for N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-amine?
The canonical SMILES for N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-amine is C=C(N(C)CCCC)C(F)(F)F.
What is the InChIKey of N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-amine?
The InChIKey is BNGAAKBZQVZZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N/c1-4-5-6-12(3)7(2)8(9,10)11/h2,4-6H2,1,3H3.
What are the key properties of N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-amine?
N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-amine has a molecular weight of 181.20 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-amine is sourced from PubChem (CID 586686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).