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

C10H16BF6N — CID 134906508

IUPAC(Z)-5-[bis(trifluoromethyl)boranyl]-N,N,4-trimethylpent-3-en-2-amine
SMILESC/C(=C/C(C)N(C)C)CB(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H16BF6N/c1-7(5-8(2)18(3)4)6-11(9(12,13)14)10(15,16)17/h5,8H,6H2,1-4H3/b7-5-
InChIKeyGUGYMQGCWYZNGN-ALCCZGGFSA-N
MW275.05 g/mol
LogP3.58
Rot. Bonds4

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

(Z)-5-[bis(trifluoromethyl)boranyl]-N,N,4-trimethylpent-3-en-2-amine (PubChem CID 134906508) has the molecular formula C10H16BF6N and a molecular weight of 275.05 g/mol. Its IUPAC name is (Z)-5-[bis(trifluoromethyl)boranyl]-N,N,4-trimethylpent-3-en-2-amine.

Molecular Properties

Compound Name(Z)-5-[bis(trifluoromethyl)boranyl]-N,N,4-trimethylpent-3-en-2-amine
PubChem CID134906508
Molecular FormulaC10H16BF6N
Molecular Weight275.05 g/mol
Exact Mass275.13
IUPAC Name(Z)-5-[bis(trifluoromethyl)boranyl]-N,N,4-trimethylpent-3-en-2-amine
SMILESC/C(=C/C(C)N(C)C)CB(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H16BF6N/c1-7(5-8(2)18(3)4)6-11(9(12,13)14)10(15,16)17/h5,8H,6H2,1-4H3/b7-5-
InChIKeyGUGYMQGCWYZNGN-ALCCZGGFSA-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

(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)-5-[bis(trifluoromethyl)boranyl]-N,N-diethyl-4-methylpent-3-en-2-amine
CID 134906534
1,1,1-trifluoro-N,N,4-trimethylpent-3-en-2-amine
CID 162613809
(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

Frequently Asked Questions

What is the IUPAC name of (Z)-5-[bis(trifluoromethyl)boranyl]-N,N,4-trimethylpent-3-en-2-amine?
The IUPAC name of (Z)-5-[bis(trifluoromethyl)boranyl]-N,N,4-trimethylpent-3-en-2-amine (CID 134906508) is (Z)-5-[bis(trifluoromethyl)boranyl]-N,N,4-trimethylpent-3-en-2-amine.
What is the SMILES notation for (Z)-5-[bis(trifluoromethyl)boranyl]-N,N,4-trimethylpent-3-en-2-amine?
The canonical SMILES for (Z)-5-[bis(trifluoromethyl)boranyl]-N,N,4-trimethylpent-3-en-2-amine is C/C(=C/C(C)N(C)C)CB(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (Z)-5-[bis(trifluoromethyl)boranyl]-N,N,4-trimethylpent-3-en-2-amine?
The InChIKey is GUGYMQGCWYZNGN-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H16BF6N/c1-7(5-8(2)18(3)4)6-11(9(12,13)14)10(15,16)17/h5,8H,6H2,1-4H3/b7-5-.
What are the key properties of (Z)-5-[bis(trifluoromethyl)boranyl]-N,N,4-trimethylpent-3-en-2-amine?
(Z)-5-[bis(trifluoromethyl)boranyl]-N,N,4-trimethylpent-3-en-2-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)-5-[bis(trifluoromethyl)boranyl]-N,N,4-trimethylpent-3-en-2-amine is sourced from PubChem (CID 134906508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).