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

C13H22BF6N — CID 134906287

IUPAC(Z)-5-[bis(trifluoromethyl)boranyl]-N,N-diethyl-3,4-dimethylpent-3-en-2-amine
SMILESCCN(CC)C(C)/C(C)=C(/C)CB(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H22BF6N/c1-6-21(7-2)11(5)10(4)9(3)8-14(12(15,16)17)13(18,19)20/h11H,6-8H2,1-5H3/b10-9-
InChIKeyDRDALQUAUASTOE-KTKRTIGZSA-N
MW317.13 g/mol
LogP4.75
Rot. Bonds6

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

(Z)-5-[bis(trifluoromethyl)boranyl]-N,N-diethyl-3,4-dimethylpent-3-en-2-amine (PubChem CID 134906287) has the molecular formula C13H22BF6N and a molecular weight of 317.13 g/mol. Its IUPAC name is (Z)-5-[bis(trifluoromethyl)boranyl]-N,N-diethyl-3,4-dimethylpent-3-en-2-amine.

Molecular Properties

Compound Name(Z)-5-[bis(trifluoromethyl)boranyl]-N,N-diethyl-3,4-dimethylpent-3-en-2-amine
PubChem CID134906287
Molecular FormulaC13H22BF6N
Molecular Weight317.13 g/mol
Exact Mass317.17
IUPAC Name(Z)-5-[bis(trifluoromethyl)boranyl]-N,N-diethyl-3,4-dimethylpent-3-en-2-amine
SMILESCCN(CC)C(C)/C(C)=C(/C)CB(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H22BF6N/c1-6-21(7-2)11(5)10(4)9(3)8-14(12(15,16)17)13(18,19)20/h11H,6-8H2,1-5H3/b10-9-
InChIKeyDRDALQUAUASTOE-KTKRTIGZSA-N
XLogP4.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.13
LogP ≤ 54.75
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-2,3-dimethylbut-2-en-1-amine
CID 134906221
(Z)-5-[bis(trifluoromethyl)boranyl]-N,N,3,4-tetramethylpent-3-en-2-amine
CID 134906242
(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
3-fluoro-4-methyl-N,N-di(propan-2-yl)pent-3-en-2-amine
CID 175243353

Frequently Asked Questions

What is the IUPAC name of (Z)-5-[bis(trifluoromethyl)boranyl]-N,N-diethyl-3,4-dimethylpent-3-en-2-amine?
The IUPAC name of (Z)-5-[bis(trifluoromethyl)boranyl]-N,N-diethyl-3,4-dimethylpent-3-en-2-amine (CID 134906287) is (Z)-5-[bis(trifluoromethyl)boranyl]-N,N-diethyl-3,4-dimethylpent-3-en-2-amine.
What is the SMILES notation for (Z)-5-[bis(trifluoromethyl)boranyl]-N,N-diethyl-3,4-dimethylpent-3-en-2-amine?
The canonical SMILES for (Z)-5-[bis(trifluoromethyl)boranyl]-N,N-diethyl-3,4-dimethylpent-3-en-2-amine is CCN(CC)C(C)/C(C)=C(/C)CB(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (Z)-5-[bis(trifluoromethyl)boranyl]-N,N-diethyl-3,4-dimethylpent-3-en-2-amine?
The InChIKey is DRDALQUAUASTOE-KTKRTIGZSA-N. The full InChI is InChI=1S/C13H22BF6N/c1-6-21(7-2)11(5)10(4)9(3)8-14(12(15,16)17)13(18,19)20/h11H,6-8H2,1-5H3/b10-9-.
What are the key properties of (Z)-5-[bis(trifluoromethyl)boranyl]-N,N-diethyl-3,4-dimethylpent-3-en-2-amine?
(Z)-5-[bis(trifluoromethyl)boranyl]-N,N-diethyl-3,4-dimethylpent-3-en-2-amine has a molecular weight of 317.13 g/mol, XLogP of 4.75, 6 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-diethyl-3,4-dimethylpent-3-en-2-amine is sourced from PubChem (CID 134906287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).