(1Z)-N-methyl-3-(trifluoromethyl)buta-1,3-dien-1-amine

C6H8F3N — CID 170286662

IUPAC(1Z)-N-methyl-3-(trifluoromethyl)buta-1,3-dien-1-amine
SMILESC=C(/C=C\NC)C(F)(F)F
InChIInChI=1S/C6H8F3N/c1-5(3-4-10-2)6(7,8)9/h3-4,10H,1H2,2H3/b4-3-
InChIKeyLBSFNUIZOXEABD-ARJAWSKDSA-N
MW151.13 g/mol
LogP1.84
Rot. Bonds2

About (1Z)-N-methyl-3-(trifluoromethyl)buta-1,3-dien-1-amine

(1Z)-N-methyl-3-(trifluoromethyl)buta-1,3-dien-1-amine (PubChem CID 170286662) has the molecular formula C6H8F3N and a molecular weight of 151.13 g/mol. Its IUPAC name is (1Z)-N-methyl-3-(trifluoromethyl)buta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-N-methyl-3-(trifluoromethyl)buta-1,3-dien-1-amine
PubChem CID170286662
Molecular FormulaC6H8F3N
Molecular Weight151.13 g/mol
Exact Mass151.06
IUPAC Name(1Z)-N-methyl-3-(trifluoromethyl)buta-1,3-dien-1-amine
SMILESC=C(/C=C\NC)C(F)(F)F
InChIInChI=1S/C6H8F3N/c1-5(3-4-10-2)6(7,8)9/h3-4,10H,1H2,2H3/b4-3-
InChIKeyLBSFNUIZOXEABD-ARJAWSKDSA-N
XLogP1.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

CID 89302512
CID 89302512
CID 129140487
CID 129140487
CID 135212730
CID 135212730
CID 135219666
CID 135219666
CID 138628392
CID 138628392
CID 139426936
CID 139426936
CID 141874247
CID 141874247
CID 142969581
CID 142969581
CID 145356079
CID 145356079
CID 146510829
CID 146510829
CID 148938841
CID 148938841
CID 151537173
CID 151537173

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-methyl-3-(trifluoromethyl)buta-1,3-dien-1-amine?
The IUPAC name of (1Z)-N-methyl-3-(trifluoromethyl)buta-1,3-dien-1-amine (CID 170286662) is (1Z)-N-methyl-3-(trifluoromethyl)buta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-N-methyl-3-(trifluoromethyl)buta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-N-methyl-3-(trifluoromethyl)buta-1,3-dien-1-amine is C=C(/C=C\NC)C(F)(F)F.
What is the InChIKey of (1Z)-N-methyl-3-(trifluoromethyl)buta-1,3-dien-1-amine?
The InChIKey is LBSFNUIZOXEABD-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H8F3N/c1-5(3-4-10-2)6(7,8)9/h3-4,10H,1H2,2H3/b4-3-.
What are the key properties of (1Z)-N-methyl-3-(trifluoromethyl)buta-1,3-dien-1-amine?
(1Z)-N-methyl-3-(trifluoromethyl)buta-1,3-dien-1-amine has a molecular weight of 151.13 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-methyl-3-(trifluoromethyl)buta-1,3-dien-1-amine is sourced from PubChem (CID 170286662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).