(2Z,5Z)-5-ethyl-1,1,1-trifluoro-2-N,2-N,4-N-trimethylhepta-2,5-diene-2,4-diamine

C12H21F3N2 — CID 145011885

IUPAC(2Z,5Z)-5-ethyl-1,1,1-trifluoro-2-N,2-N,4-N-trimethylhepta-2,5-diene-2,4-diamine
SMILESC/C=C(/CC)C(/C=C(\N(C)C)C(F)(F)F)NC
InChIInChI=1S/C12H21F3N2/c1-6-9(7-2)10(16-3)8-11(17(4)5)12(13,14)15/h6,8,10,16H,7H2,1-5H3/b9-6-,11-8-
InChIKeyWLYYOINADKKUKL-WALAJLDXSA-N
MW250.31 g/mol
LogP2.94
Rot. Bonds5

About (2Z,5Z)-5-ethyl-1,1,1-trifluoro-2-N,2-N,4-N-trimethylhepta-2,5-diene-2,4-diamine

(2Z,5Z)-5-ethyl-1,1,1-trifluoro-2-N,2-N,4-N-trimethylhepta-2,5-diene-2,4-diamine (PubChem CID 145011885) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is (2Z,5Z)-5-ethyl-1,1,1-trifluoro-2-N,2-N,4-N-trimethylhepta-2,5-diene-2,4-diamine.

Molecular Properties

Compound Name(2Z,5Z)-5-ethyl-1,1,1-trifluoro-2-N,2-N,4-N-trimethylhepta-2,5-diene-2,4-diamine
PubChem CID145011885
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC Name(2Z,5Z)-5-ethyl-1,1,1-trifluoro-2-N,2-N,4-N-trimethylhepta-2,5-diene-2,4-diamine
SMILESC/C=C(/CC)C(/C=C(\N(C)C)C(F)(F)F)NC
InChIInChI=1S/C12H21F3N2/c1-6-9(7-2)10(16-3)8-11(17(4)5)12(13,14)15/h6,8,10,16H,7H2,1-5H3/b9-6-,11-8-
InChIKeyWLYYOINADKKUKL-WALAJLDXSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-5-ethyl-1,1,1-trifluoro-2-N,2-N,4-N-trimethylhepta-2,5-diene-2,4-diamine?
The IUPAC name of (2Z,5Z)-5-ethyl-1,1,1-trifluoro-2-N,2-N,4-N-trimethylhepta-2,5-diene-2,4-diamine (CID 145011885) is (2Z,5Z)-5-ethyl-1,1,1-trifluoro-2-N,2-N,4-N-trimethylhepta-2,5-diene-2,4-diamine.
What is the SMILES notation for (2Z,5Z)-5-ethyl-1,1,1-trifluoro-2-N,2-N,4-N-trimethylhepta-2,5-diene-2,4-diamine?
The canonical SMILES for (2Z,5Z)-5-ethyl-1,1,1-trifluoro-2-N,2-N,4-N-trimethylhepta-2,5-diene-2,4-diamine is C/C=C(/CC)C(/C=C(\N(C)C)C(F)(F)F)NC.
What is the InChIKey of (2Z,5Z)-5-ethyl-1,1,1-trifluoro-2-N,2-N,4-N-trimethylhepta-2,5-diene-2,4-diamine?
The InChIKey is WLYYOINADKKUKL-WALAJLDXSA-N. The full InChI is InChI=1S/C12H21F3N2/c1-6-9(7-2)10(16-3)8-11(17(4)5)12(13,14)15/h6,8,10,16H,7H2,1-5H3/b9-6-,11-8-.
What are the key properties of (2Z,5Z)-5-ethyl-1,1,1-trifluoro-2-N,2-N,4-N-trimethylhepta-2,5-diene-2,4-diamine?
(2Z,5Z)-5-ethyl-1,1,1-trifluoro-2-N,2-N,4-N-trimethylhepta-2,5-diene-2,4-diamine has a molecular weight of 250.31 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-5-ethyl-1,1,1-trifluoro-2-N,2-N,4-N-trimethylhepta-2,5-diene-2,4-diamine is sourced from PubChem (CID 145011885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).