(1Z)-N,N-dimethyl-2-(trifluoromethyl)buta-1,3-dien-1-amine

C7H10F3N — CID 88860697

IUPAC(1Z)-N,N-dimethyl-2-(trifluoromethyl)buta-1,3-dien-1-amine
SMILESC=C/C(=C/N(C)C)C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-4-6(5-11(2)3)7(8,9)10/h4-5H,1H2,2-3H3/b6-5-
InChIKeyFUYZPUALAXGKKA-WAYWQWQTSA-N
MW165.16 g/mol
LogP2.18
Rot. Bonds2

About (1Z)-N,N-dimethyl-2-(trifluoromethyl)buta-1,3-dien-1-amine

(1Z)-N,N-dimethyl-2-(trifluoromethyl)buta-1,3-dien-1-amine (PubChem CID 88860697) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is (1Z)-N,N-dimethyl-2-(trifluoromethyl)buta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-N,N-dimethyl-2-(trifluoromethyl)buta-1,3-dien-1-amine
PubChem CID88860697
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name(1Z)-N,N-dimethyl-2-(trifluoromethyl)buta-1,3-dien-1-amine
SMILESC=C/C(=C/N(C)C)C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-4-6(5-11(2)3)7(8,9)10/h4-5H,1H2,2-3H3/b6-5-
InChIKeyFUYZPUALAXGKKA-WAYWQWQTSA-N
XLogP2.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1E)-N,N,3-trimethylbuta-1,3-dien-1-amine
CID 118368990
(1Z)-2-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)buta-1,3-dien-1-amine
CID 88543641
1-methyl-4-(trifluoromethyl)-2H-pyridine
CID 121391423
(1E,3E)-N,N-dimethyl-3-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 129195925
1-Methyl-4-(trifluoromethyl)pyridine
CID 135246385
1-methyl-5-(trifluoromethyl)-2H-pyridine
CID 141417151
5-(difluoromethyl)-1-methyl-2H-pyridine
CID 141742951
(1Z)-N,N-dimethyl-3-(trifluoromethyl)buta-1,3-dien-1-amine
CID 148938841
4-(difluoromethyl)-1-methyl-2H-pyridine
CID 154965375
(1E,3E)-N-ethyl-4-fluoro-N-methyl-2-(trifluoromethyl)buta-1,3-dien-1-amine
CID 155001350
(1Z)-N-(difluoromethyl)-N,3-dimethylbuta-1,3-dien-1-amine
CID 155197555
4-methyl-1-(trifluoromethyl)-2H-pyridine
CID 156101157

Frequently Asked Questions

What is the IUPAC name of (1Z)-N,N-dimethyl-2-(trifluoromethyl)buta-1,3-dien-1-amine?
The IUPAC name of (1Z)-N,N-dimethyl-2-(trifluoromethyl)buta-1,3-dien-1-amine (CID 88860697) is (1Z)-N,N-dimethyl-2-(trifluoromethyl)buta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-N,N-dimethyl-2-(trifluoromethyl)buta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-N,N-dimethyl-2-(trifluoromethyl)buta-1,3-dien-1-amine is C=C/C(=C/N(C)C)C(F)(F)F.
What is the InChIKey of (1Z)-N,N-dimethyl-2-(trifluoromethyl)buta-1,3-dien-1-amine?
The InChIKey is FUYZPUALAXGKKA-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H10F3N/c1-4-6(5-11(2)3)7(8,9)10/h4-5H,1H2,2-3H3/b6-5-.
What are the key properties of (1Z)-N,N-dimethyl-2-(trifluoromethyl)buta-1,3-dien-1-amine?
(1Z)-N,N-dimethyl-2-(trifluoromethyl)buta-1,3-dien-1-amine has a molecular weight of 165.16 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N,N-dimethyl-2-(trifluoromethyl)buta-1,3-dien-1-amine is sourced from PubChem (CID 88860697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).