benzyl(trifluoromethyl)phosphane

C8H8F3P — CID 21096687

IUPACbenzyl(trifluoromethyl)phosphane
SMILESFC(F)(F)PCc1ccccc1
InChIInChI=1S/C8H8F3P/c9-8(10,11)12-6-7-4-2-1-3-5-7/h1-5,12H,6H2
InChIKeyHBBDJGBFKWWBLH-UHFFFAOYSA-N
MW192.12 g/mol
LogP3.38
Rot. Bonds2

About benzyl(trifluoromethyl)phosphane

benzyl(trifluoromethyl)phosphane (PubChem CID 21096687) has the molecular formula C8H8F3P and a molecular weight of 192.12 g/mol. Its IUPAC name is benzyl(trifluoromethyl)phosphane.

Molecular Properties

Compound Namebenzyl(trifluoromethyl)phosphane
PubChem CID21096687
Molecular FormulaC8H8F3P
Molecular Weight192.12 g/mol
Exact Mass192.03
IUPAC Namebenzyl(trifluoromethyl)phosphane
SMILESFC(F)(F)PCc1ccccc1
InChIInChI=1S/C8H8F3P/c9-8(10,11)12-6-7-4-2-1-3-5-7/h1-5,12H,6H2
InChIKeyHBBDJGBFKWWBLH-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.12
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzyl(tert-butyl)phosphane;hydrochloride
CID 174737637
ethane;2,2,2-trifluoroethylbenzene
CID 142152613
azane;2,2,2-trifluoroethylbenzene;hydrochloride
CID 175467010
1-(2-phenylethyl)-4-(3,3,3-trifluoropropyl)benzene
CID 12783381
1-benzyl-4-(2,2,2-trifluoroethyl)benzene
CID 172715361
(2-fluoro-2-methylpropyl)benzene
CID 14343442
benzyl(bromo)phosphane;bromophosphane
CID 139821861
CID 16688772
CID 16688772
benzyl(2,4-difluorobutyl)phosphane
CID 69485778
dibenzylphosphane;dichloropalladium;iron
CID 175421124
benzyl-bis(trifluoromethyl)borane
CID 101101375
2,2-difluorobutylbenzene
CID 12695736

Frequently Asked Questions

What is the IUPAC name of benzyl(trifluoromethyl)phosphane?
The IUPAC name of benzyl(trifluoromethyl)phosphane (CID 21096687) is benzyl(trifluoromethyl)phosphane.
What is the SMILES notation for benzyl(trifluoromethyl)phosphane?
The canonical SMILES for benzyl(trifluoromethyl)phosphane is FC(F)(F)PCc1ccccc1.
What is the InChIKey of benzyl(trifluoromethyl)phosphane?
The InChIKey is HBBDJGBFKWWBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3P/c9-8(10,11)12-6-7-4-2-1-3-5-7/h1-5,12H,6H2.
What are the key properties of benzyl(trifluoromethyl)phosphane?
benzyl(trifluoromethyl)phosphane has a molecular weight of 192.12 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(trifluoromethyl)phosphane is sourced from PubChem (CID 21096687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).