(Z)-4-[bis(trifluoromethyl)boranyl]-N,N-diethyl-2,3-dimethylbut-2-en-1-amine

C12H20BF6N — CID 134906221

IUPAC(Z)-4-[bis(trifluoromethyl)boranyl]-N,N-diethyl-2,3-dimethylbut-2-en-1-amine
SMILESCCN(CC)C/C(C)=C(/C)CB(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H20BF6N/c1-5-20(6-2)8-10(4)9(3)7-13(11(14,15)16)12(17,18)19/h5-8H2,1-4H3/b10-9-
InChIKeyJKRMRVSKUBSWLR-KTKRTIGZSA-N
MW303.10 g/mol
LogP4.36
Rot. Bonds6

About (Z)-4-[bis(trifluoromethyl)boranyl]-N,N-diethyl-2,3-dimethylbut-2-en-1-amine

(Z)-4-[bis(trifluoromethyl)boranyl]-N,N-diethyl-2,3-dimethylbut-2-en-1-amine (PubChem CID 134906221) has the molecular formula C12H20BF6N and a molecular weight of 303.10 g/mol. Its IUPAC name is (Z)-4-[bis(trifluoromethyl)boranyl]-N,N-diethyl-2,3-dimethylbut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-4-[bis(trifluoromethyl)boranyl]-N,N-diethyl-2,3-dimethylbut-2-en-1-amine
PubChem CID134906221
Molecular FormulaC12H20BF6N
Molecular Weight303.10 g/mol
Exact Mass303.16
IUPAC Name(Z)-4-[bis(trifluoromethyl)boranyl]-N,N-diethyl-2,3-dimethylbut-2-en-1-amine
SMILESCCN(CC)C/C(C)=C(/C)CB(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H20BF6N/c1-5-20(6-2)8-10(4)9(3)7-13(11(14,15)16)12(17,18)19/h5-8H2,1-4H3/b10-9-
InChIKeyJKRMRVSKUBSWLR-KTKRTIGZSA-N
XLogP4.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.10
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Diethylaminoheptafluoroisobutylene
CID 129807003
(Z)-5-[bis(trifluoromethyl)boranyl]-N,N-diethyl-3,4-dimethylpent-3-en-2-amine
CID 134906287
(Z)-4-[bis(trifluoromethyl)boranyl]-N,N-diethyl-3-methylbut-2-en-1-amine
CID 134906483
(Z)-4-[bis(trifluoromethyl)boranyl]-N,N,2,3-tetramethylbut-2-en-1-amine
CID 134906643

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[bis(trifluoromethyl)boranyl]-N,N-diethyl-2,3-dimethylbut-2-en-1-amine?
The IUPAC name of (Z)-4-[bis(trifluoromethyl)boranyl]-N,N-diethyl-2,3-dimethylbut-2-en-1-amine (CID 134906221) is (Z)-4-[bis(trifluoromethyl)boranyl]-N,N-diethyl-2,3-dimethylbut-2-en-1-amine.
What is the SMILES notation for (Z)-4-[bis(trifluoromethyl)boranyl]-N,N-diethyl-2,3-dimethylbut-2-en-1-amine?
The canonical SMILES for (Z)-4-[bis(trifluoromethyl)boranyl]-N,N-diethyl-2,3-dimethylbut-2-en-1-amine is CCN(CC)C/C(C)=C(/C)CB(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (Z)-4-[bis(trifluoromethyl)boranyl]-N,N-diethyl-2,3-dimethylbut-2-en-1-amine?
The InChIKey is JKRMRVSKUBSWLR-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H20BF6N/c1-5-20(6-2)8-10(4)9(3)7-13(11(14,15)16)12(17,18)19/h5-8H2,1-4H3/b10-9-.
What are the key properties of (Z)-4-[bis(trifluoromethyl)boranyl]-N,N-diethyl-2,3-dimethylbut-2-en-1-amine?
(Z)-4-[bis(trifluoromethyl)boranyl]-N,N-diethyl-2,3-dimethylbut-2-en-1-amine has a molecular weight of 303.10 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[bis(trifluoromethyl)boranyl]-N,N-diethyl-2,3-dimethylbut-2-en-1-amine is sourced from PubChem (CID 134906221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).