dicyclohexyl-(3,5-difluorophenyl)phosphanium tetrafluoroborate

C18H26BF6P — CID 140696633

IUPACdicyclohexyl-(3,5-difluorophenyl)phosphanium tetrafluoroborate
SMILESF[B-](F)(F)F.Fc1cc(F)cc([PH+](C2CCCCC2)C2CCCCC2)c1
InChIInChI=1S/C18H25F2P.BF4/c19-14-11-15(20)13-18(12-14)21(16-7-3-1-4-8-16)17-9-5-2-6-10-17;2-1(3,4)5/h11-13,16-17H,1-10H2;/q;-1/p+1
InChIKeyQSKUIFZPGLCDFN-UHFFFAOYSA-O
MW398.18 g/mol
LogP6.77
Rot. Bonds3

About dicyclohexyl-(3,5-difluorophenyl)phosphanium tetrafluoroborate

dicyclohexyl-(3,5-difluorophenyl)phosphanium tetrafluoroborate (PubChem CID 140696633) has the molecular formula C18H26BF6P and a molecular weight of 398.18 g/mol. Its IUPAC name is dicyclohexyl-(3,5-difluorophenyl)phosphanium tetrafluoroborate.

Molecular Properties

Compound Namedicyclohexyl-(3,5-difluorophenyl)phosphanium tetrafluoroborate
PubChem CID140696633
Molecular FormulaC18H26BF6P
Molecular Weight398.18 g/mol
Exact Mass398.18
IUPAC Namedicyclohexyl-(3,5-difluorophenyl)phosphanium tetrafluoroborate
SMILESF[B-](F)(F)F.Fc1cc(F)cc([PH+](C2CCCCC2)C2CCCCC2)c1
InChIInChI=1S/C18H25F2P.BF4/c19-14-11-15(20)13-18(12-14)21(16-7-3-1-4-8-16)17-9-5-2-6-10-17;2-1(3,4)5/h11-13,16-17H,1-10H2;/q;-1/p+1
InChIKeyQSKUIFZPGLCDFN-UHFFFAOYSA-O
XLogP6.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.18
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl-(3,5-difluorophenyl)methanone
CID 24724213
(R)-cyclohexyl-(3,5-difluorophenyl)methanamine;hydrochloride
CID 171204514
2-(3-fluoro-5-methylphenyl)cycloheptan-1-one
CID 79705167
2-(3,5-difluorophenyl)cyclohexan-1-amine
CID 62801272
N-[2-(3,5-difluorophenyl)ethyl]cycloheptanamine
CID 55091377
1-bromo-2-[(3,5-difluorophenyl)methyl]cycloheptane
CID 105407761
2-cyclohexyl-2-(3,5-difluorophenyl)ethanamine
CID 79019412
3-cyclooctyl-2-(3,5-difluorophenyl)-3-oxopropanenitrile
CID 65018721
N-cycloheptyl-3,5-difluoro-N-methylbenzenesulfonamide
CID 55476609
(3,5-difluorophenyl)-(oxan-2-yl)methanone
CID 114970560
cyclohexyl(trimethyl)azanium tetrafluoroborate
CID 139649769
2-cyclohexyl-2-[(3,5-difluorobenzoyl)amino]acetic acid
CID 61014771

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-(3,5-difluorophenyl)phosphanium tetrafluoroborate?
The IUPAC name of dicyclohexyl-(3,5-difluorophenyl)phosphanium tetrafluoroborate (CID 140696633) is dicyclohexyl-(3,5-difluorophenyl)phosphanium tetrafluoroborate.
What is the SMILES notation for dicyclohexyl-(3,5-difluorophenyl)phosphanium tetrafluoroborate?
The canonical SMILES for dicyclohexyl-(3,5-difluorophenyl)phosphanium tetrafluoroborate is F[B-](F)(F)F.Fc1cc(F)cc([PH+](C2CCCCC2)C2CCCCC2)c1.
What is the InChIKey of dicyclohexyl-(3,5-difluorophenyl)phosphanium tetrafluoroborate?
The InChIKey is QSKUIFZPGLCDFN-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H25F2P.BF4/c19-14-11-15(20)13-18(12-14)21(16-7-3-1-4-8-16)17-9-5-2-6-10-17;2-1(3,4)5/h11-13,16-17H,1-10H2;/q;-1/p+1.
What are the key properties of dicyclohexyl-(3,5-difluorophenyl)phosphanium tetrafluoroborate?
dicyclohexyl-(3,5-difluorophenyl)phosphanium tetrafluoroborate has a molecular weight of 398.18 g/mol, XLogP of 6.77, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-(3,5-difluorophenyl)phosphanium tetrafluoroborate is sourced from PubChem (CID 140696633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).