(3Z)-N-(2,2-difluorobutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine

C12H19F2N — CID 144717288

IUPAC(3Z)-N-(2,2-difluorobutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine
SMILESC=C(C)/C=C\C(=C)N(C)CC(F)(F)CC
InChIInChI=1S/C12H19F2N/c1-6-12(13,14)9-15(5)11(4)8-7-10(2)3/h7-8H,2,4,6,9H2,1,3,5H3/b8-7-
InChIKeyADVLGEHMLGEYAQ-FPLPWBNLSA-N
MW215.29 g/mol
LogP3.61
Rot. Bonds6

About (3Z)-N-(2,2-difluorobutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine

(3Z)-N-(2,2-difluorobutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine (PubChem CID 144717288) has the molecular formula C12H19F2N and a molecular weight of 215.29 g/mol. Its IUPAC name is (3Z)-N-(2,2-difluorobutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-N-(2,2-difluorobutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine
PubChem CID144717288
Molecular FormulaC12H19F2N
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(3Z)-N-(2,2-difluorobutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine
SMILESC=C(C)/C=C\C(=C)N(C)CC(F)(F)CC
InChIInChI=1S/C12H19F2N/c1-6-12(13,14)9-15(5)11(4)8-7-10(2)3/h7-8H,2,4,6,9H2,1,3,5H3/b8-7-
InChIKeyADVLGEHMLGEYAQ-FPLPWBNLSA-N
XLogP3.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 53.61
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 (3Z)-N-(2,2-difluorobutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-N-(2,2-difluorobutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine (CID 144717288) is (3Z)-N-(2,2-difluorobutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-N-(2,2-difluorobutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-N-(2,2-difluorobutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine is C=C(C)/C=C\C(=C)N(C)CC(F)(F)CC.
What is the InChIKey of (3Z)-N-(2,2-difluorobutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine?
The InChIKey is ADVLGEHMLGEYAQ-FPLPWBNLSA-N. The full InChI is InChI=1S/C12H19F2N/c1-6-12(13,14)9-15(5)11(4)8-7-10(2)3/h7-8H,2,4,6,9H2,1,3,5H3/b8-7-.
What are the key properties of (3Z)-N-(2,2-difluorobutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine?
(3Z)-N-(2,2-difluorobutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine has a molecular weight of 215.29 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-(2,2-difluorobutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 144717288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).