trifluoro(3-heptoxyprop-1-en-2-yl)boranuide

C10H19BF3O- — CID 106746672

IUPACtrifluoro(3-heptoxyprop-1-en-2-yl)boranuide
SMILESC=C(COCCCCCCC)[B-](F)(F)F
InChIInChI=1S/C10H19BF3O/c1-3-4-5-6-7-8-15-9-10(2)11(12,13)14/h2-9H2,1H3/q-1
InChIKeyKECPBALUCZIOMX-UHFFFAOYSA-N
MW223.07 g/mol
LogP3.92
Rot. Bonds9

About trifluoro(3-heptoxyprop-1-en-2-yl)boranuide

trifluoro(3-heptoxyprop-1-en-2-yl)boranuide (PubChem CID 106746672) has the molecular formula C10H19BF3O- and a molecular weight of 223.07 g/mol. Its IUPAC name is trifluoro(3-heptoxyprop-1-en-2-yl)boranuide.

Molecular Properties

Compound Nametrifluoro(3-heptoxyprop-1-en-2-yl)boranuide
PubChem CID106746672
Molecular FormulaC10H19BF3O-
Molecular Weight223.07 g/mol
Exact Mass223.15
IUPAC Nametrifluoro(3-heptoxyprop-1-en-2-yl)boranuide
SMILESC=C(COCCCCCCC)[B-](F)(F)F
InChIInChI=1S/C10H19BF3O/c1-3-4-5-6-7-8-15-9-10(2)11(12,13)14/h2-9H2,1H3/q-1
InChIKeyKECPBALUCZIOMX-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.07
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

potassium 3-butoxyprop-1-en-2-yl(trifluoro)boranuide
CID 106746715
1-[2-(heptoxymethyl)prop-2-enoxy]heptane
CID 138543680
trifluoro-[3-(4-methylpentoxy)prop-1-en-2-yl]boranuide
CID 106746682
1-(2-methylprop-2-enoxy)dodecane
CID 156690078
potassium trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]prop-1-en-2-yl]boranuide
CID 106746871
2-(heptoxymethyl)prop-2-en-1-amine
CID 103074513
1-dodecoxyhexadecane
CID 22256973
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766

Frequently Asked Questions

What is the IUPAC name of trifluoro(3-heptoxyprop-1-en-2-yl)boranuide?
The IUPAC name of trifluoro(3-heptoxyprop-1-en-2-yl)boranuide (CID 106746672) is trifluoro(3-heptoxyprop-1-en-2-yl)boranuide.
What is the SMILES notation for trifluoro(3-heptoxyprop-1-en-2-yl)boranuide?
The canonical SMILES for trifluoro(3-heptoxyprop-1-en-2-yl)boranuide is C=C(COCCCCCCC)[B-](F)(F)F.
What is the InChIKey of trifluoro(3-heptoxyprop-1-en-2-yl)boranuide?
The InChIKey is KECPBALUCZIOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BF3O/c1-3-4-5-6-7-8-15-9-10(2)11(12,13)14/h2-9H2,1H3/q-1.
What are the key properties of trifluoro(3-heptoxyprop-1-en-2-yl)boranuide?
trifluoro(3-heptoxyprop-1-en-2-yl)boranuide has a molecular weight of 223.07 g/mol, XLogP of 3.92, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(3-heptoxyprop-1-en-2-yl)boranuide is sourced from PubChem (CID 106746672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).