[4-(trifluoromethoxy)phenyl]phosphane;hydrochloride

C7H7ClF3OP — CID 171933025

IUPAC[4-(trifluoromethoxy)phenyl]phosphane;hydrochloride
SMILESCl.FC(F)(F)Oc1ccc(P)cc1
InChIInChI=1S/C7H6F3OP.ClH/c8-7(9,10)11-5-1-3-6(12)4-2-5;/h1-4H,12H2;1H
InChIKeyCDAOQQBCPWPUQL-UHFFFAOYSA-N
MW230.55 g/mol
LogP2.51
Rot. Bonds1

About [4-(trifluoromethoxy)phenyl]phosphane;hydrochloride

[4-(trifluoromethoxy)phenyl]phosphane;hydrochloride (PubChem CID 171933025) has the molecular formula C7H7ClF3OP and a molecular weight of 230.55 g/mol. Its IUPAC name is [4-(trifluoromethoxy)phenyl]phosphane;hydrochloride.

Molecular Properties

Compound Name[4-(trifluoromethoxy)phenyl]phosphane;hydrochloride
PubChem CID171933025
Molecular FormulaC7H7ClF3OP
Molecular Weight230.55 g/mol
Exact Mass229.99
IUPAC Name[4-(trifluoromethoxy)phenyl]phosphane;hydrochloride
SMILESCl.FC(F)(F)Oc1ccc(P)cc1
InChIInChI=1S/C7H6F3OP.ClH/c8-7(9,10)11-5-1-3-6(12)4-2-5;/h1-4H,12H2;1H
InChIKeyCDAOQQBCPWPUQL-UHFFFAOYSA-N
XLogP2.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.55
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(trifluoromethoxy)phenyl]methanimine
CID 118183095
trifluoromethoxybenzene
CID 157402708
1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]disulfanyl]benzene
CID 86088132
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene
CID 23625072
4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
trifluoromethoxybenzene fluoride
CID 158305019
phosphanyl-[4-(trifluoromethoxy)phenyl]methanone
CID 170761962
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
N-fluoro-4-(trifluoromethoxy)aniline
CID 142989818
4-[4-(trifluoromethoxy)phenyl]sulfanylbenzenethiol
CID 177164291

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethoxy)phenyl]phosphane;hydrochloride?
The IUPAC name of [4-(trifluoromethoxy)phenyl]phosphane;hydrochloride (CID 171933025) is [4-(trifluoromethoxy)phenyl]phosphane;hydrochloride.
What is the SMILES notation for [4-(trifluoromethoxy)phenyl]phosphane;hydrochloride?
The canonical SMILES for [4-(trifluoromethoxy)phenyl]phosphane;hydrochloride is Cl.FC(F)(F)Oc1ccc(P)cc1.
What is the InChIKey of [4-(trifluoromethoxy)phenyl]phosphane;hydrochloride?
The InChIKey is CDAOQQBCPWPUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3OP.ClH/c8-7(9,10)11-5-1-3-6(12)4-2-5;/h1-4H,12H2;1H.
What are the key properties of [4-(trifluoromethoxy)phenyl]phosphane;hydrochloride?
[4-(trifluoromethoxy)phenyl]phosphane;hydrochloride has a molecular weight of 230.55 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethoxy)phenyl]phosphane;hydrochloride is sourced from PubChem (CID 171933025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).