trifluoro-[(3S)-1-phenylpentan-3-yl]boranuide

C11H15BF3- — CID 102300909

IUPACtrifluoro-[(3S)-1-phenylpentan-3-yl]boranuide
SMILESCC[C@@H](CCc1ccccc1)[B-](F)(F)F
InChIInChI=1S/C11H15BF3/c1-2-11(12(13,14)15)9-8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3/q-1/t11-/m0/s1
InChIKeyAOWBJWHGTUQZFE-NSHDSACASA-N
MW215.05 g/mol
LogP4.25
Rot. Bonds5

About trifluoro-[(3S)-1-phenylpentan-3-yl]boranuide

trifluoro-[(3S)-1-phenylpentan-3-yl]boranuide (PubChem CID 102300909) has the molecular formula C11H15BF3- and a molecular weight of 215.05 g/mol. Its IUPAC name is trifluoro-[(3S)-1-phenylpentan-3-yl]boranuide.

Molecular Properties

Compound Nametrifluoro-[(3S)-1-phenylpentan-3-yl]boranuide
PubChem CID102300909
Molecular FormulaC11H15BF3-
Molecular Weight215.05 g/mol
Exact Mass215.12
IUPAC Nametrifluoro-[(3S)-1-phenylpentan-3-yl]boranuide
SMILESCC[C@@H](CCc1ccccc1)[B-](F)(F)F
InChIInChI=1S/C11H15BF3/c1-2-11(12(13,14)15)9-8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3/q-1/t11-/m0/s1
InChIKeyAOWBJWHGTUQZFE-NSHDSACASA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.05
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-1,3-diphenylpropyl]-trifluoroboranuide
CID 102300911
3,4-dimethylhexylbenzene
CID 72602417
N-methyl-1,5-diphenylpentan-3-amine
CID 10586995
[1-[(2-azaniumyl-3-phenylpropanoyl)amino]-4-phenylbutan-2-yl]-trifluoroboranuide
CID 163421062
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
2-(1-phenylpentan-3-yl)imidazol-2-ylium
CID 91430986
1-phenylheptan-3-ol
CID 10420110
ethane;methane;2-methylbutane;tris(2-phenylethylbenzene)
CID 159124725
(2R)-4-phenylbutane-2-thiol
CID 28974861
[(3S)-3-bromo-3-fluoropropyl]benzene
CID 129394816
(2S)-4-phenylbutan-2-amine
CID 6994564
ethene;3-methylbutylbenzene
CID 145421013

Frequently Asked Questions

What is the IUPAC name of trifluoro-[(3S)-1-phenylpentan-3-yl]boranuide?
The IUPAC name of trifluoro-[(3S)-1-phenylpentan-3-yl]boranuide (CID 102300909) is trifluoro-[(3S)-1-phenylpentan-3-yl]boranuide.
What is the SMILES notation for trifluoro-[(3S)-1-phenylpentan-3-yl]boranuide?
The canonical SMILES for trifluoro-[(3S)-1-phenylpentan-3-yl]boranuide is CC[C@@H](CCc1ccccc1)[B-](F)(F)F.
What is the InChIKey of trifluoro-[(3S)-1-phenylpentan-3-yl]boranuide?
The InChIKey is AOWBJWHGTUQZFE-NSHDSACASA-N. The full InChI is InChI=1S/C11H15BF3/c1-2-11(12(13,14)15)9-8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3/q-1/t11-/m0/s1.
What are the key properties of trifluoro-[(3S)-1-phenylpentan-3-yl]boranuide?
trifluoro-[(3S)-1-phenylpentan-3-yl]boranuide has a molecular weight of 215.05 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[(3S)-1-phenylpentan-3-yl]boranuide is sourced from PubChem (CID 102300909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).