phosphanyl-[4-(trifluoromethoxy)phenyl]methanone

C8H6F3O2P — CID 170761962

IUPACphosphanyl-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(P)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H6F3O2P/c9-8(10,11)13-6-3-1-5(2-4-6)7(12)14/h1-4H,14H2
InChIKeyYKEXPCUCTCZKIN-UHFFFAOYSA-N
MW222.10 g/mol
LogP2.60
Rot. Bonds2

About phosphanyl-[4-(trifluoromethoxy)phenyl]methanone

phosphanyl-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 170761962) has the molecular formula C8H6F3O2P and a molecular weight of 222.10 g/mol. Its IUPAC name is phosphanyl-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Namephosphanyl-[4-(trifluoromethoxy)phenyl]methanone
PubChem CID170761962
Molecular FormulaC8H6F3O2P
Molecular Weight222.10 g/mol
Exact Mass222.01
IUPAC Namephosphanyl-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(P)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H6F3O2P/c9-8(10,11)13-6-3-1-5(2-4-6)7(12)14/h1-4H,14H2
InChIKeyYKEXPCUCTCZKIN-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.10
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
CID 59303798
CID 59303798
2-chloro-2,2-difluoro-1-[4-(trifluoromethoxy)phenyl]ethanone
CID 19915312
pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 68682751
1,6-bis[4-(trifluoromethoxy)phenyl]hexane-1,6-dione
CID 10502949
4-[4-(trifluoromethoxy)phenyl]benzoate
CID 7016769
(4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 3021169
2-methoxyethyl 4-(trifluoromethoxy)benzoate
CID 78831247
thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanone
CID 116628410
N,N-ditert-butyl-4-(trifluoromethoxy)benzamide
CID 59614232
(Z)-4-[4-(trifluoromethoxy)phenyl]pent-3-en-2-one
CID 103970826
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536

Frequently Asked Questions

What is the IUPAC name of phosphanyl-[4-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of phosphanyl-[4-(trifluoromethoxy)phenyl]methanone (CID 170761962) is phosphanyl-[4-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for phosphanyl-[4-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for phosphanyl-[4-(trifluoromethoxy)phenyl]methanone is O=C(P)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of phosphanyl-[4-(trifluoromethoxy)phenyl]methanone?
The InChIKey is YKEXPCUCTCZKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3O2P/c9-8(10,11)13-6-3-1-5(2-4-6)7(12)14/h1-4H,14H2.
What are the key properties of phosphanyl-[4-(trifluoromethoxy)phenyl]methanone?
phosphanyl-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 222.10 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyl-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 170761962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).