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

C10H16BF6N — CID 134906643

IUPAC(Z)-4-[bis(trifluoromethyl)boranyl]-N,N,2,3-tetramethylbut-2-en-1-amine
SMILESC/C(CB(C(F)(F)F)C(F)(F)F)=C(\C)CN(C)C
InChIInChI=1S/C10H16BF6N/c1-7(8(2)6-18(3)4)5-11(9(12,13)14)10(15,16)17/h5-6H2,1-4H3/b8-7-
InChIKeyNPJBSIOVPDXTQE-FPLPWBNLSA-N
MW275.05 g/mol
LogP3.58
Rot. Bonds4

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

(Z)-4-[bis(trifluoromethyl)boranyl]-N,N,2,3-tetramethylbut-2-en-1-amine (PubChem CID 134906643) has the molecular formula C10H16BF6N and a molecular weight of 275.05 g/mol. Its IUPAC name is (Z)-4-[bis(trifluoromethyl)boranyl]-N,N,2,3-tetramethylbut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-4-[bis(trifluoromethyl)boranyl]-N,N,2,3-tetramethylbut-2-en-1-amine
PubChem CID134906643
Molecular FormulaC10H16BF6N
Molecular Weight275.05 g/mol
Exact Mass275.13
IUPAC Name(Z)-4-[bis(trifluoromethyl)boranyl]-N,N,2,3-tetramethylbut-2-en-1-amine
SMILESC/C(CB(C(F)(F)F)C(F)(F)F)=C(\C)CN(C)C
InChIInChI=1S/C10H16BF6N/c1-7(8(2)6-18(3)4)5-11(9(12,13)14)10(15,16)17/h5-6H2,1-4H3/b8-7-
InChIKeyNPJBSIOVPDXTQE-FPLPWBNLSA-N
XLogP3.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.05
LogP ≤ 53.58
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)-4-[bis(trifluoromethyl)boranyl]-N,N-diethyl-2,3-dimethylbut-2-en-1-amine
CID 134906221
(Z)-4-[bis(trifluoromethyl)boranyl]-N,N-diethyl-3-methylbut-2-en-1-amine
CID 134906483
(Z)-4-[bis(trifluoromethyl)boranyl]-N,N,3-trimethylbut-2-en-1-amine
CID 134978748

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[bis(trifluoromethyl)boranyl]-N,N,2,3-tetramethylbut-2-en-1-amine?
The IUPAC name of (Z)-4-[bis(trifluoromethyl)boranyl]-N,N,2,3-tetramethylbut-2-en-1-amine (CID 134906643) is (Z)-4-[bis(trifluoromethyl)boranyl]-N,N,2,3-tetramethylbut-2-en-1-amine.
What is the SMILES notation for (Z)-4-[bis(trifluoromethyl)boranyl]-N,N,2,3-tetramethylbut-2-en-1-amine?
The canonical SMILES for (Z)-4-[bis(trifluoromethyl)boranyl]-N,N,2,3-tetramethylbut-2-en-1-amine is C/C(CB(C(F)(F)F)C(F)(F)F)=C(\C)CN(C)C.
What is the InChIKey of (Z)-4-[bis(trifluoromethyl)boranyl]-N,N,2,3-tetramethylbut-2-en-1-amine?
The InChIKey is NPJBSIOVPDXTQE-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H16BF6N/c1-7(8(2)6-18(3)4)5-11(9(12,13)14)10(15,16)17/h5-6H2,1-4H3/b8-7-.
What are the key properties of (Z)-4-[bis(trifluoromethyl)boranyl]-N,N,2,3-tetramethylbut-2-en-1-amine?
(Z)-4-[bis(trifluoromethyl)boranyl]-N,N,2,3-tetramethylbut-2-en-1-amine has a molecular weight of 275.05 g/mol, XLogP of 3.58, 4 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,2,3-tetramethylbut-2-en-1-amine is sourced from PubChem (CID 134906643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).