trifluoro-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]boranuide

C8H16BF3NO- — CID 63704892

IUPACtrifluoro-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]boranuide
SMILESOCCCC1CCCN1C[B-](F)(F)F
InChIInChI=1S/C8H16BF3NO/c10-9(11,12)7-13-5-1-3-8(13)4-2-6-14/h8,14H,1-7H2/q-1
InChIKeyVGSMDOWEOORXIO-UHFFFAOYSA-N
MW210.03 g/mol
LogP1.61
Rot. Bonds5

About trifluoro-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]boranuide

trifluoro-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]boranuide (PubChem CID 63704892) has the molecular formula C8H16BF3NO- and a molecular weight of 210.03 g/mol. Its IUPAC name is trifluoro-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]boranuide
PubChem CID63704892
Molecular FormulaC8H16BF3NO-
Molecular Weight210.03 g/mol
Exact Mass210.13
IUPAC Nametrifluoro-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]boranuide
SMILESOCCCC1CCCN1C[B-](F)(F)F
InChIInChI=1S/C8H16BF3NO/c10-9(11,12)7-13-5-1-3-8(13)4-2-6-14/h8,14H,1-7H2/q-1
InChIKeyVGSMDOWEOORXIO-UHFFFAOYSA-N
XLogP1.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.03
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1-ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784
3-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-1-ol
CID 80601823
3-(1-methylpyrrolidin-2-yl)propan-1-ol tetrafluoroborate
CID 174876425
(2S)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
CID 106932811
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
CID 62468156
3-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 79673427
3-[2-(2-fluoroethyl)pyrrolidin-1-yl]propan-1-ol
CID 67281651
4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butanoic acid
CID 62466874
3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 82892128
3-[1-(4-methylpentyl)pyrrolidin-2-yl]propan-1-ol
CID 83161632
4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 111434906
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(4-iodophenyl)ethanone
CID 62467950

Frequently Asked Questions

What is the IUPAC name of trifluoro-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]boranuide?
The IUPAC name of trifluoro-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]boranuide (CID 63704892) is trifluoro-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]boranuide.
What is the SMILES notation for trifluoro-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]boranuide?
The canonical SMILES for trifluoro-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]boranuide is OCCCC1CCCN1C[B-](F)(F)F.
What is the InChIKey of trifluoro-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]boranuide?
The InChIKey is VGSMDOWEOORXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BF3NO/c10-9(11,12)7-13-5-1-3-8(13)4-2-6-14/h8,14H,1-7H2/q-1.
What are the key properties of trifluoro-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]boranuide?
trifluoro-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]boranuide has a molecular weight of 210.03 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]boranuide is sourced from PubChem (CID 63704892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).