(2Z)-N,N,3-trimethyl-4-(trifluoromethyl)hexa-2,4-dien-2-amine

C10H16F3N — CID 146392963

IUPAC(2Z)-N,N,3-trimethyl-4-(trifluoromethyl)hexa-2,4-dien-2-amine
SMILESCC=C(/C(C)=C(/C)N(C)C)C(F)(F)F
InChIInChI=1S/C10H16F3N/c1-6-9(10(11,12)13)7(2)8(3)14(4)5/h6H,1-5H3/b8-7-,9-6?
InChIKeyVSSUOAJJWVMINL-JUAXCNNKSA-N
MW207.24 g/mol
LogP3.35
Rot. Bonds2

About (2Z)-N,N,3-trimethyl-4-(trifluoromethyl)hexa-2,4-dien-2-amine

(2Z)-N,N,3-trimethyl-4-(trifluoromethyl)hexa-2,4-dien-2-amine (PubChem CID 146392963) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is (2Z)-N,N,3-trimethyl-4-(trifluoromethyl)hexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z)-N,N,3-trimethyl-4-(trifluoromethyl)hexa-2,4-dien-2-amine
PubChem CID146392963
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name(2Z)-N,N,3-trimethyl-4-(trifluoromethyl)hexa-2,4-dien-2-amine
SMILESCC=C(/C(C)=C(/C)N(C)C)C(F)(F)F
InChIInChI=1S/C10H16F3N/c1-6-9(10(11,12)13)7(2)8(3)14(4)5/h6H,1-5H3/b8-7-,9-6?
InChIKeyVSSUOAJJWVMINL-JUAXCNNKSA-N
XLogP3.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N,N,3-trimethyl-4-(trifluoromethyl)hexa-2,4-dien-2-amine?
The IUPAC name of (2Z)-N,N,3-trimethyl-4-(trifluoromethyl)hexa-2,4-dien-2-amine (CID 146392963) is (2Z)-N,N,3-trimethyl-4-(trifluoromethyl)hexa-2,4-dien-2-amine.
What is the SMILES notation for (2Z)-N,N,3-trimethyl-4-(trifluoromethyl)hexa-2,4-dien-2-amine?
The canonical SMILES for (2Z)-N,N,3-trimethyl-4-(trifluoromethyl)hexa-2,4-dien-2-amine is CC=C(/C(C)=C(/C)N(C)C)C(F)(F)F.
What is the InChIKey of (2Z)-N,N,3-trimethyl-4-(trifluoromethyl)hexa-2,4-dien-2-amine?
The InChIKey is VSSUOAJJWVMINL-JUAXCNNKSA-N. The full InChI is InChI=1S/C10H16F3N/c1-6-9(10(11,12)13)7(2)8(3)14(4)5/h6H,1-5H3/b8-7-,9-6?.
What are the key properties of (2Z)-N,N,3-trimethyl-4-(trifluoromethyl)hexa-2,4-dien-2-amine?
(2Z)-N,N,3-trimethyl-4-(trifluoromethyl)hexa-2,4-dien-2-amine has a molecular weight of 207.24 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N,N,3-trimethyl-4-(trifluoromethyl)hexa-2,4-dien-2-amine is sourced from PubChem (CID 146392963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).