trifluoro-[3-(4-methylazepan-1-yl)prop-1-en-2-yl]boranuide

C10H18BF3N- — CID 106746072

IUPACtrifluoro-[3-(4-methylazepan-1-yl)prop-1-en-2-yl]boranuide
SMILESC=C(CN1CCCC(C)CC1)[B-](F)(F)F
InChIInChI=1S/C10H18BF3N/c1-9-4-3-6-15(7-5-9)8-10(2)11(12,13)14/h9H,2-8H2,1H3/q-1
InChIKeyBGYHLUXIUJJZOH-UHFFFAOYSA-N
MW220.07 g/mol
LogP3.05
Rot. Bonds3

About trifluoro-[3-(4-methylazepan-1-yl)prop-1-en-2-yl]boranuide

trifluoro-[3-(4-methylazepan-1-yl)prop-1-en-2-yl]boranuide (PubChem CID 106746072) has the molecular formula C10H18BF3N- and a molecular weight of 220.07 g/mol. Its IUPAC name is trifluoro-[3-(4-methylazepan-1-yl)prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Nametrifluoro-[3-(4-methylazepan-1-yl)prop-1-en-2-yl]boranuide
PubChem CID106746072
Molecular FormulaC10H18BF3N-
Molecular Weight220.07 g/mol
Exact Mass220.15
IUPAC Nametrifluoro-[3-(4-methylazepan-1-yl)prop-1-en-2-yl]boranuide
SMILESC=C(CN1CCCC(C)CC1)[B-](F)(F)F
InChIInChI=1S/C10H18BF3N/c1-9-4-3-6-15(7-5-9)8-10(2)11(12,13)14/h9H,2-8H2,1H3/q-1
InChIKeyBGYHLUXIUJJZOH-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.07
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(Azepan-1-yl)prop-1-en-2-yl-trifluoroboranuide
CID 56655992
Trifluoro-[(4-methylazepan-1-yl)methyl]boranuide
CID 63705154
(4-Ethylazepan-1-yl)methyl-trifluoroboranuide
CID 64390984
Trifluoro-[(4-propylazepan-1-yl)methyl]boranuide
CID 64390986
Trifluoro-[(4-propan-2-ylazepan-1-yl)methyl]boranuide
CID 64391181
3-(3-Ethylpiperidin-1-yl)prop-1-en-2-yl-trifluoroboranuide
CID 106745740
3-[Ethyl(2-ethylbutyl)amino]prop-1-en-2-yl-trifluoroboranuide
CID 106745802
3-[Cyclohexylmethyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide
CID 106745848
Trifluoro-[3-(4-propylpiperidin-1-yl)prop-1-en-2-yl]boranuide
CID 106745984
3-[Cyclopentylmethyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide
CID 106746074
3-(4-Ethylazepan-1-yl)prop-1-en-2-yl-trifluoroboranuide
CID 106746110
Trifluoro-[3-(4-propylazepan-1-yl)prop-1-en-2-yl]boranuide
CID 106746112

Frequently Asked Questions

What is the IUPAC name of trifluoro-[3-(4-methylazepan-1-yl)prop-1-en-2-yl]boranuide?
The IUPAC name of trifluoro-[3-(4-methylazepan-1-yl)prop-1-en-2-yl]boranuide (CID 106746072) is trifluoro-[3-(4-methylazepan-1-yl)prop-1-en-2-yl]boranuide.
What is the SMILES notation for trifluoro-[3-(4-methylazepan-1-yl)prop-1-en-2-yl]boranuide?
The canonical SMILES for trifluoro-[3-(4-methylazepan-1-yl)prop-1-en-2-yl]boranuide is C=C(CN1CCCC(C)CC1)[B-](F)(F)F.
What is the InChIKey of trifluoro-[3-(4-methylazepan-1-yl)prop-1-en-2-yl]boranuide?
The InChIKey is BGYHLUXIUJJZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BF3N/c1-9-4-3-6-15(7-5-9)8-10(2)11(12,13)14/h9H,2-8H2,1H3/q-1.
What are the key properties of trifluoro-[3-(4-methylazepan-1-yl)prop-1-en-2-yl]boranuide?
trifluoro-[3-(4-methylazepan-1-yl)prop-1-en-2-yl]boranuide has a molecular weight of 220.07 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[3-(4-methylazepan-1-yl)prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106746072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).