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

C10H18BF3NO- — CID 106746098

IUPACtrifluoro-[3-[4-(methoxymethyl)piperidin-1-yl]prop-1-en-2-yl]boranuide
SMILESC=C(CN1CCC(COC)CC1)[B-](F)(F)F
InChIInChI=1S/C10H18BF3NO/c1-9(11(12,13)14)7-15-5-3-10(4-6-15)8-16-2/h10H,1,3-8H2,2H3/q-1
InChIKeyNRTJWNQWKBQAFX-UHFFFAOYSA-N
MW236.07 g/mol
LogP2.29
Rot. Bonds5

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

trifluoro-[3-[4-(methoxymethyl)piperidin-1-yl]prop-1-en-2-yl]boranuide (PubChem CID 106746098) has the molecular formula C10H18BF3NO- and a molecular weight of 236.07 g/mol. Its IUPAC name is trifluoro-[3-[4-(methoxymethyl)piperidin-1-yl]prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Nametrifluoro-[3-[4-(methoxymethyl)piperidin-1-yl]prop-1-en-2-yl]boranuide
PubChem CID106746098
Molecular FormulaC10H18BF3NO-
Molecular Weight236.07 g/mol
Exact Mass236.14
IUPAC Nametrifluoro-[3-[4-(methoxymethyl)piperidin-1-yl]prop-1-en-2-yl]boranuide
SMILESC=C(CN1CCC(COC)CC1)[B-](F)(F)F
InChIInChI=1S/C10H18BF3NO/c1-9(11(12,13)14)7-15-5-3-10(4-6-15)8-16-2/h10H,1,3-8H2,2H3/q-1
InChIKeyNRTJWNQWKBQAFX-UHFFFAOYSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.07
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

potassium trifluoro-[3-[4-(methoxymethyl)piperidin-1-yl]prop-1-en-2-yl]boranuide
CID 106746097
trifluoro-[3-(4-methoxypiperidin-1-yl)prop-1-en-2-yl]boranuide
CID 106745712
3-[4-(dimethylamino)piperidin-1-yl]prop-1-en-2-yl-trifluoroboranuide
CID 106745730
potassium trifluoro-[[4-(methoxymethyl)piperidin-1-yl]methyl]boranuide
CID 63979917
2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103070719
1-(2-fluorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63973305
2-[3-(methoxymethyl)pyrrolidin-1-yl]acetic acid
CID 64599596
1-[2-[4-(methoxymethyl)piperidin-1-yl]acetyl]piperidine-4-carboxylic acid
CID 63972132
4-(methoxymethyl)-1-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 121451427
potassium trifluoro-[3-(4-methyl-1,4-diazepan-1-yl)prop-1-en-2-yl]boranuide
CID 56655995
N-(cyclopropylmethyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63978168
ethyl 5-[4-(methoxymethyl)piperidin-1-yl]-4-oxopentanoate
CID 103484490

Frequently Asked Questions

What is the IUPAC name of trifluoro-[3-[4-(methoxymethyl)piperidin-1-yl]prop-1-en-2-yl]boranuide?
The IUPAC name of trifluoro-[3-[4-(methoxymethyl)piperidin-1-yl]prop-1-en-2-yl]boranuide (CID 106746098) is trifluoro-[3-[4-(methoxymethyl)piperidin-1-yl]prop-1-en-2-yl]boranuide.
What is the SMILES notation for trifluoro-[3-[4-(methoxymethyl)piperidin-1-yl]prop-1-en-2-yl]boranuide?
The canonical SMILES for trifluoro-[3-[4-(methoxymethyl)piperidin-1-yl]prop-1-en-2-yl]boranuide is C=C(CN1CCC(COC)CC1)[B-](F)(F)F.
What is the InChIKey of trifluoro-[3-[4-(methoxymethyl)piperidin-1-yl]prop-1-en-2-yl]boranuide?
The InChIKey is NRTJWNQWKBQAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BF3NO/c1-9(11(12,13)14)7-15-5-3-10(4-6-15)8-16-2/h10H,1,3-8H2,2H3/q-1.
What are the key properties of trifluoro-[3-[4-(methoxymethyl)piperidin-1-yl]prop-1-en-2-yl]boranuide?
trifluoro-[3-[4-(methoxymethyl)piperidin-1-yl]prop-1-en-2-yl]boranuide has a molecular weight of 236.07 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[3-[4-(methoxymethyl)piperidin-1-yl]prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106746098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).