trifluoro-(2-phenylcyclohexyl)boranuide

C12H15BF3- — CID 102399053

IUPACtrifluoro-(2-phenylcyclohexyl)boranuide
SMILESF[B-](F)(F)C1CCCCC1c1ccccc1
InChIInChI=1S/C12H15BF3/c14-13(15,16)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2/q-1
InChIKeyPMLOHWKOPLYIFT-UHFFFAOYSA-N
MW227.06 g/mol
LogP4.56
Rot. Bonds2

About trifluoro-(2-phenylcyclohexyl)boranuide

trifluoro-(2-phenylcyclohexyl)boranuide (PubChem CID 102399053) has the molecular formula C12H15BF3- and a molecular weight of 227.06 g/mol. Its IUPAC name is trifluoro-(2-phenylcyclohexyl)boranuide.

Molecular Properties

Compound Nametrifluoro-(2-phenylcyclohexyl)boranuide
PubChem CID102399053
Molecular FormulaC12H15BF3-
Molecular Weight227.06 g/mol
Exact Mass227.12
IUPAC Nametrifluoro-(2-phenylcyclohexyl)boranuide
SMILESF[B-](F)(F)C1CCCCC1c1ccccc1
InChIInChI=1S/C12H15BF3/c14-13(15,16)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2/q-1
InChIKeyPMLOHWKOPLYIFT-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 54.56
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

trans-(1S,2R)-2-phenylcyclohexan-1-amine;hydrochloride
CID 21128019
1-bromo-2-phenylcycloheptane
CID 63510810
carbon dioxide;[(1S,2S)-2-methylcyclohexyl]benzene
CID 123742009
(2-phenylcyclohexyl) formate
CID 87286934
N,N-dimethyl-2-phenylcyclohexan-1-amine
CID 14946175
[(1R,2R)-2-(chloromethyl)cyclohexyl]benzene
CID 130762341
(2-methylcyclopentyl)benzene
CID 12600454
2-phenylcycloheptane-1-carbonitrile
CID 82241213
[(1R,2R)-2-phenylcyclohexyl] [(1S,2R)-2-phenylcyclohexyl] [(1S,2S)-2-phenylcyclohexyl] borate
CID 125124690
CID 135048454
CID 135048454
cis-(1S,2S)-2-phenylcyclohexan-1-amine;trans-(1R,2S)-2-phenylcyclohexan-1-ol
CID 158450943
8-phenylbicyclo[5.2.0]non-1-ene
CID 134982556

Frequently Asked Questions

What is the IUPAC name of trifluoro-(2-phenylcyclohexyl)boranuide?
The IUPAC name of trifluoro-(2-phenylcyclohexyl)boranuide (CID 102399053) is trifluoro-(2-phenylcyclohexyl)boranuide.
What is the SMILES notation for trifluoro-(2-phenylcyclohexyl)boranuide?
The canonical SMILES for trifluoro-(2-phenylcyclohexyl)boranuide is F[B-](F)(F)C1CCCCC1c1ccccc1.
What is the InChIKey of trifluoro-(2-phenylcyclohexyl)boranuide?
The InChIKey is PMLOHWKOPLYIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BF3/c14-13(15,16)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2/q-1.
What are the key properties of trifluoro-(2-phenylcyclohexyl)boranuide?
trifluoro-(2-phenylcyclohexyl)boranuide has a molecular weight of 227.06 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-(2-phenylcyclohexyl)boranuide is sourced from PubChem (CID 102399053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).