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

C9H14BF6N — CID 134978748

IUPAC(Z)-4-[bis(trifluoromethyl)boranyl]-N,N,3-trimethylbut-2-en-1-amine
SMILESC/C(=C/CN(C)C)CB(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H14BF6N/c1-7(4-5-17(2)3)6-10(8(11,12)13)9(14,15)16/h4H,5-6H2,1-3H3/b7-4-
InChIKeyDGVPYPXUJFGJEO-DAXSKMNVSA-N
MW261.02 g/mol
LogP3.19
Rot. Bonds4

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

(Z)-4-[bis(trifluoromethyl)boranyl]-N,N,3-trimethylbut-2-en-1-amine (PubChem CID 134978748) has the molecular formula C9H14BF6N and a molecular weight of 261.02 g/mol. Its IUPAC name is (Z)-4-[bis(trifluoromethyl)boranyl]-N,N,3-trimethylbut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-4-[bis(trifluoromethyl)boranyl]-N,N,3-trimethylbut-2-en-1-amine
PubChem CID134978748
Molecular FormulaC9H14BF6N
Molecular Weight261.02 g/mol
Exact Mass261.11
IUPAC Name(Z)-4-[bis(trifluoromethyl)boranyl]-N,N,3-trimethylbut-2-en-1-amine
SMILESC/C(=C/CN(C)C)CB(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H14BF6N/c1-7(4-5-17(2)3)6-10(8(11,12)13)9(14,15)16/h4H,5-6H2,1-3H3/b7-4-
InChIKeyDGVPYPXUJFGJEO-DAXSKMNVSA-N
XLogP3.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.02
LogP ≤ 53.19
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

(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
1,1,4-Trimethyl-2,2-bis(trifluoromethyl)-1-azonia-2-boranuidacyclohex-4-ene
CID 14764082
1,1,5-Trimethyl-2,2-bis(trifluoromethyl)-1-azonia-2-boranuidacyclohex-4-ene
CID 101749524
1,1-Dimethyl-2,2,5-tris(trifluoromethyl)-1-azonia-2-boranuidacyclohex-4-ene
CID 101749526
1,1-Dimethyl-2,2,4-tris(trifluoromethyl)-1-azonia-2-boranuidacyclohex-4-ene
CID 101749532

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[bis(trifluoromethyl)boranyl]-N,N,3-trimethylbut-2-en-1-amine?
The IUPAC name of (Z)-4-[bis(trifluoromethyl)boranyl]-N,N,3-trimethylbut-2-en-1-amine (CID 134978748) is (Z)-4-[bis(trifluoromethyl)boranyl]-N,N,3-trimethylbut-2-en-1-amine.
What is the SMILES notation for (Z)-4-[bis(trifluoromethyl)boranyl]-N,N,3-trimethylbut-2-en-1-amine?
The canonical SMILES for (Z)-4-[bis(trifluoromethyl)boranyl]-N,N,3-trimethylbut-2-en-1-amine is C/C(=C/CN(C)C)CB(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (Z)-4-[bis(trifluoromethyl)boranyl]-N,N,3-trimethylbut-2-en-1-amine?
The InChIKey is DGVPYPXUJFGJEO-DAXSKMNVSA-N. The full InChI is InChI=1S/C9H14BF6N/c1-7(4-5-17(2)3)6-10(8(11,12)13)9(14,15)16/h4H,5-6H2,1-3H3/b7-4-.
What are the key properties of (Z)-4-[bis(trifluoromethyl)boranyl]-N,N,3-trimethylbut-2-en-1-amine?
(Z)-4-[bis(trifluoromethyl)boranyl]-N,N,3-trimethylbut-2-en-1-amine has a molecular weight of 261.02 g/mol, XLogP of 3.19, 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,3-trimethylbut-2-en-1-amine is sourced from PubChem (CID 134978748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).