(3E)-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hexa-1,3-dien-2-amine

C10H14F3N — CID 135227345

IUPAC(3E)-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hexa-1,3-dien-2-amine
SMILESC=C(N)C(=C/CC)/C=C(\C)C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-4-5-9(8(3)14)6-7(2)10(11,12)13/h5-6H,3-4,14H2,1-2H3/b7-6+,9-5+
InChIKeyIZQKFQTVEGECHW-CQCRHSALSA-N
MW205.22 g/mol
LogP3.30
Rot. Bonds3

About (3E)-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hexa-1,3-dien-2-amine

(3E)-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hexa-1,3-dien-2-amine (PubChem CID 135227345) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is (3E)-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hexa-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hexa-1,3-dien-2-amine
PubChem CID135227345
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name(3E)-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hexa-1,3-dien-2-amine
SMILESC=C(N)C(=C/CC)/C=C(\C)C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-4-5-9(8(3)14)6-7(2)10(11,12)13/h5-6H,3-4,14H2,1-2H3/b7-6+,9-5+
InChIKeyIZQKFQTVEGECHW-CQCRHSALSA-N
XLogP3.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 53.30
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

6-(Trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 20278634
2-Methyl-5-(trifluoromethyl)benzene-4-id-1-amine;tungsten
CID 58729804
5-Fluoro-6-methylcyclohexa-1,5-dien-1-amine
CID 68217515
(2Z,4Z)-1,1,1-trifluoro-5-methylhepta-2,4,6-trien-2-amine
CID 88558934
(3E,5Z)-2-fluoro-5-methylhepta-1,3,5-trien-4-amine
CID 88575399
(2Z,4Z)-5-ethenyl-1,1,1-trifluoroocta-2,4-dien-2-amine
CID 88963377
(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073720
6-Methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 89073819
(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-amine
CID 89074088
3-(Trifluoromethyl)cyclohepta-1,4,6-trien-1-amine
CID 89122883
(2Z,4E)-5-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine
CID 89140162
(2E,4Z)-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine
CID 89153760

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hexa-1,3-dien-2-amine?
The IUPAC name of (3E)-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hexa-1,3-dien-2-amine (CID 135227345) is (3E)-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hexa-1,3-dien-2-amine.
What is the SMILES notation for (3E)-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hexa-1,3-dien-2-amine?
The canonical SMILES for (3E)-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hexa-1,3-dien-2-amine is C=C(N)C(=C/CC)/C=C(\C)C(F)(F)F.
What is the InChIKey of (3E)-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hexa-1,3-dien-2-amine?
The InChIKey is IZQKFQTVEGECHW-CQCRHSALSA-N. The full InChI is InChI=1S/C10H14F3N/c1-4-5-9(8(3)14)6-7(2)10(11,12)13/h5-6H,3-4,14H2,1-2H3/b7-6+,9-5+.
What are the key properties of (3E)-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hexa-1,3-dien-2-amine?
(3E)-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hexa-1,3-dien-2-amine has a molecular weight of 205.22 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hexa-1,3-dien-2-amine is sourced from PubChem (CID 135227345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).