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

C12H20BF6N — CID 134906534

IUPAC(Z)-5-[bis(trifluoromethyl)boranyl]-N,N-diethyl-4-methylpent-3-en-2-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)10(4)7-9(3)8-13(11(14,15)16)12(17,18)19/h7,10H,5-6,8H2,1-4H3/b9-7-
InChIKeyQACCJNQYFUXKLZ-CLFYSBASSA-N
MW303.10 g/mol
LogP4.36
Rot. Bonds6

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

(Z)-5-[bis(trifluoromethyl)boranyl]-N,N-diethyl-4-methylpent-3-en-2-amine (PubChem CID 134906534) has the molecular formula C12H20BF6N and a molecular weight of 303.10 g/mol. Its IUPAC name is (Z)-5-[bis(trifluoromethyl)boranyl]-N,N-diethyl-4-methylpent-3-en-2-amine.

Molecular Properties

Compound Name(Z)-5-[bis(trifluoromethyl)boranyl]-N,N-diethyl-4-methylpent-3-en-2-amine
PubChem CID134906534
Molecular FormulaC12H20BF6N
Molecular Weight303.10 g/mol
Exact Mass303.16
IUPAC Name(Z)-5-[bis(trifluoromethyl)boranyl]-N,N-diethyl-4-methylpent-3-en-2-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)10(4)7-9(3)8-13(11(14,15)16)12(17,18)19/h7,10H,5-6,8H2,1-4H3/b9-7-
InChIKeyQACCJNQYFUXKLZ-CLFYSBASSA-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

(Z)-5-[bis(trifluoromethyl)boranyl]-N,N,3,4-tetramethylpent-3-en-2-amine
CID 134906242
(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)-5-[bis(trifluoromethyl)boranyl]-N,N,4-trimethylpent-3-en-2-amine
CID 134906508
(2E,4E)-6,6-difluoro-N,2,5-trimethyl-N-propan-2-ylhepta-2,4-dien-1-amine;ethane
CID 145011954
1,1,1-trifluoro-N,N,4-trimethylpent-3-en-2-amine
CID 162613809
1-propan-2-yl-5-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 117205568
(2E,4E)-6,6-difluoro-N,2,5-trimethyl-N-propan-2-ylhepta-2,4-dien-1-amine
CID 145011955
(3E,5E)-8,8,8-trifluoro-N,N,3-trimethyl-5-(trifluoromethyl)octa-3,5-dien-2-amine
CID 145541117
(Z)-N-(2,2-difluoroethyl)-N-ethyl-3-methylpent-2-en-1-amine
CID 168224461
(Z)-N-(2,2-difluoroethyl)-N-ethyl-3-methylpent-2-en-1-amine;ethane
CID 168224460
CID 173929683
CID 173929683

Frequently Asked Questions

What is the IUPAC name of (Z)-5-[bis(trifluoromethyl)boranyl]-N,N-diethyl-4-methylpent-3-en-2-amine?
The IUPAC name of (Z)-5-[bis(trifluoromethyl)boranyl]-N,N-diethyl-4-methylpent-3-en-2-amine (CID 134906534) is (Z)-5-[bis(trifluoromethyl)boranyl]-N,N-diethyl-4-methylpent-3-en-2-amine.
What is the SMILES notation for (Z)-5-[bis(trifluoromethyl)boranyl]-N,N-diethyl-4-methylpent-3-en-2-amine?
The canonical SMILES for (Z)-5-[bis(trifluoromethyl)boranyl]-N,N-diethyl-4-methylpent-3-en-2-amine is CCN(CC)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-4-methylpent-3-en-2-amine?
The InChIKey is QACCJNQYFUXKLZ-CLFYSBASSA-N. The full InChI is InChI=1S/C12H20BF6N/c1-5-20(6-2)10(4)7-9(3)8-13(11(14,15)16)12(17,18)19/h7,10H,5-6,8H2,1-4H3/b9-7-.
What are the key properties of (Z)-5-[bis(trifluoromethyl)boranyl]-N,N-diethyl-4-methylpent-3-en-2-amine?
(Z)-5-[bis(trifluoromethyl)boranyl]-N,N-diethyl-4-methylpent-3-en-2-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)-5-[bis(trifluoromethyl)boranyl]-N,N-diethyl-4-methylpent-3-en-2-amine is sourced from PubChem (CID 134906534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).