methyl-[[3-(trifluoromethoxy)phenyl]methyl]phosphane

C9H10F3OP — CID 142185562

IUPACmethyl-[[3-(trifluoromethoxy)phenyl]methyl]phosphane
SMILESCPCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C9H10F3OP/c1-14-6-7-3-2-4-8(5-7)13-9(10,11)12/h2-5,14H,6H2,1H3
InChIKeyGGGLCXBCZLZQBI-UHFFFAOYSA-N
MW222.15 g/mol
LogP3.39
Rot. Bonds3

About methyl-[[3-(trifluoromethoxy)phenyl]methyl]phosphane

methyl-[[3-(trifluoromethoxy)phenyl]methyl]phosphane (PubChem CID 142185562) has the molecular formula C9H10F3OP and a molecular weight of 222.15 g/mol. Its IUPAC name is methyl-[[3-(trifluoromethoxy)phenyl]methyl]phosphane.

Molecular Properties

Compound Namemethyl-[[3-(trifluoromethoxy)phenyl]methyl]phosphane
PubChem CID142185562
Molecular FormulaC9H10F3OP
Molecular Weight222.15 g/mol
Exact Mass222.04
IUPAC Namemethyl-[[3-(trifluoromethoxy)phenyl]methyl]phosphane
SMILESCPCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C9H10F3OP/c1-14-6-7-3-2-4-8(5-7)13-9(10,11)12/h2-5,14H,6H2,1H3
InChIKeyGGGLCXBCZLZQBI-UHFFFAOYSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.15
LogP ≤ 53.39
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

1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
1-butyl-3-(trifluoromethoxy)benzene
CID 57030134
2-methyl-3-[3-(trifluoromethoxy)phenyl]propanal
CID 64666640
methanidyl-[[3-(trifluoromethoxy)phenyl]methyl]azanium
CID 20723524
2-[3-(trifluoromethoxy)phenyl]acetonitrile
CID 517906
N-[[3-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 83304199
3-[3-(trifluoromethoxy)phenyl]propan-1-ol
CID 53434391
ethane;1-[3-(trifluoromethoxy)phenyl]pentan-2-ol
CID 143267662
N',N'-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 83325765
1-methyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]benzene
CID 143173489
1-(3-chlorobutyl)-3-(trifluoromethoxy)benzene
CID 64515626
2-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 66848411

Frequently Asked Questions

What is the IUPAC name of methyl-[[3-(trifluoromethoxy)phenyl]methyl]phosphane?
The IUPAC name of methyl-[[3-(trifluoromethoxy)phenyl]methyl]phosphane (CID 142185562) is methyl-[[3-(trifluoromethoxy)phenyl]methyl]phosphane.
What is the SMILES notation for methyl-[[3-(trifluoromethoxy)phenyl]methyl]phosphane?
The canonical SMILES for methyl-[[3-(trifluoromethoxy)phenyl]methyl]phosphane is CPCc1cccc(OC(F)(F)F)c1.
What is the InChIKey of methyl-[[3-(trifluoromethoxy)phenyl]methyl]phosphane?
The InChIKey is GGGLCXBCZLZQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3OP/c1-14-6-7-3-2-4-8(5-7)13-9(10,11)12/h2-5,14H,6H2,1H3.
What are the key properties of methyl-[[3-(trifluoromethoxy)phenyl]methyl]phosphane?
methyl-[[3-(trifluoromethoxy)phenyl]methyl]phosphane has a molecular weight of 222.15 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[[3-(trifluoromethoxy)phenyl]methyl]phosphane is sourced from PubChem (CID 142185562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).