(Z)-5-[bis(trifluoromethyl)boranyl]-N,N,3,4-tetramethylpent-3-en-2-amine

C11H18BF6N — CID 134906242

IUPAC(Z)-5-[bis(trifluoromethyl)boranyl]-N,N,3,4-tetramethylpent-3-en-2-amine
SMILESC/C(CB(C(F)(F)F)C(F)(F)F)=C(\C)C(C)N(C)C
InChIInChI=1S/C11H18BF6N/c1-7(8(2)9(3)19(4)5)6-12(10(13,14)15)11(16,17)18/h9H,6H2,1-5H3/b8-7-
InChIKeyBJLRPMWMTHQVML-FPLPWBNLSA-N
MW289.07 g/mol
LogP3.97
Rot. Bonds4

About (Z)-5-[bis(trifluoromethyl)boranyl]-N,N,3,4-tetramethylpent-3-en-2-amine

(Z)-5-[bis(trifluoromethyl)boranyl]-N,N,3,4-tetramethylpent-3-en-2-amine (PubChem CID 134906242) has the molecular formula C11H18BF6N and a molecular weight of 289.07 g/mol. Its IUPAC name is (Z)-5-[bis(trifluoromethyl)boranyl]-N,N,3,4-tetramethylpent-3-en-2-amine.

Molecular Properties

Compound Name(Z)-5-[bis(trifluoromethyl)boranyl]-N,N,3,4-tetramethylpent-3-en-2-amine
PubChem CID134906242
Molecular FormulaC11H18BF6N
Molecular Weight289.07 g/mol
Exact Mass289.14
IUPAC Name(Z)-5-[bis(trifluoromethyl)boranyl]-N,N,3,4-tetramethylpent-3-en-2-amine
SMILESC/C(CB(C(F)(F)F)C(F)(F)F)=C(\C)C(C)N(C)C
InChIInChI=1S/C11H18BF6N/c1-7(8(2)9(3)19(4)5)6-12(10(13,14)15)11(16,17)18/h9H,6H2,1-5H3/b8-7-
InChIKeyBJLRPMWMTHQVML-FPLPWBNLSA-N
XLogP3.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.07
LogP ≤ 53.97
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)-5-[bis(trifluoromethyl)boranyl]-N,N-diethyl-3,4-dimethylpent-3-en-2-amine
CID 134906287
(Z)-5-[bis(trifluoromethyl)boranyl]-N,N,4-trimethylpent-3-en-2-amine
CID 134906508
(Z)-5-[bis(trifluoromethyl)boranyl]-N,N-diethyl-4-methylpent-3-en-2-amine
CID 134906534

Frequently Asked Questions

What is the IUPAC name of (Z)-5-[bis(trifluoromethyl)boranyl]-N,N,3,4-tetramethylpent-3-en-2-amine?
The IUPAC name of (Z)-5-[bis(trifluoromethyl)boranyl]-N,N,3,4-tetramethylpent-3-en-2-amine (CID 134906242) is (Z)-5-[bis(trifluoromethyl)boranyl]-N,N,3,4-tetramethylpent-3-en-2-amine.
What is the SMILES notation for (Z)-5-[bis(trifluoromethyl)boranyl]-N,N,3,4-tetramethylpent-3-en-2-amine?
The canonical SMILES for (Z)-5-[bis(trifluoromethyl)boranyl]-N,N,3,4-tetramethylpent-3-en-2-amine is C/C(CB(C(F)(F)F)C(F)(F)F)=C(\C)C(C)N(C)C.
What is the InChIKey of (Z)-5-[bis(trifluoromethyl)boranyl]-N,N,3,4-tetramethylpent-3-en-2-amine?
The InChIKey is BJLRPMWMTHQVML-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H18BF6N/c1-7(8(2)9(3)19(4)5)6-12(10(13,14)15)11(16,17)18/h9H,6H2,1-5H3/b8-7-.
What are the key properties of (Z)-5-[bis(trifluoromethyl)boranyl]-N,N,3,4-tetramethylpent-3-en-2-amine?
(Z)-5-[bis(trifluoromethyl)boranyl]-N,N,3,4-tetramethylpent-3-en-2-amine has a molecular weight of 289.07 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-[bis(trifluoromethyl)boranyl]-N,N,3,4-tetramethylpent-3-en-2-amine is sourced from PubChem (CID 134906242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).