2-[3-[2-(trifluoromethyl)phenyl]phosphanylpentan-3-yl]phenol

C18H20F3OP — CID 71040212

IUPAC2-[3-[2-(trifluoromethyl)phenyl]phosphanylpentan-3-yl]phenol
SMILESCCC(CC)(Pc1ccccc1C(F)(F)F)c1ccccc1O
InChIInChI=1S/C18H20F3OP/c1-3-17(4-2,13-9-5-7-11-15(13)22)23-16-12-8-6-10-14(16)18(19,20)21/h5-12,22-23H,3-4H2,1-2H3
InChIKeyPTCLSJCTUGGPEK-UHFFFAOYSA-N
MW340.32 g/mol
LogP5.43
Rot. Bonds5

About 2-[3-[2-(trifluoromethyl)phenyl]phosphanylpentan-3-yl]phenol

2-[3-[2-(trifluoromethyl)phenyl]phosphanylpentan-3-yl]phenol (PubChem CID 71040212) has the molecular formula C18H20F3OP and a molecular weight of 340.32 g/mol. Its IUPAC name is 2-[3-[2-(trifluoromethyl)phenyl]phosphanylpentan-3-yl]phenol.

Molecular Properties

Compound Name2-[3-[2-(trifluoromethyl)phenyl]phosphanylpentan-3-yl]phenol
PubChem CID71040212
Molecular FormulaC18H20F3OP
Molecular Weight340.32 g/mol
Exact Mass340.12
IUPAC Name2-[3-[2-(trifluoromethyl)phenyl]phosphanylpentan-3-yl]phenol
SMILESCCC(CC)(Pc1ccccc1C(F)(F)F)c1ccccc1O
InChIInChI=1S/C18H20F3OP/c1-3-17(4-2,13-9-5-7-11-15(13)22)23-16-12-8-6-10-14(16)18(19,20)21/h5-12,22-23H,3-4H2,1-2H3
InChIKeyPTCLSJCTUGGPEK-UHFFFAOYSA-N
XLogP5.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.32
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[2-methyl-6-(trifluoromethyl)phenyl]phosphanylhexan-3-yl]phenol
CID 71191689
ethane;2-(trifluoromethyl)phenol
CID 142291947
2-(trifluoromethyl)phenol
CID 162212145
2-[3-[2-[(dimethylamino)methyl]-4-methylphenyl]phosphanylpentan-3-yl]phenol
CID 71039669
2-[3-(2-fluorophenyl)phosphanylpentan-3-yl]-6-methylphenol
CID 70807474
2-methyl-2-[2-(trifluoromethyl)phenyl]butanamide
CID 68627712
1-(2-methylbutan-2-yl)-2-(trifluoromethyl)benzene
CID 54002630
2-[2-[2-methyl-6-(trifluoromethyl)phenyl]phosphanylpropan-2-yl]phenol
CID 71039709
2-methyl-2-[2-(trifluoromethyl)phenoxy]butan-1-amine
CID 62354628
2-(1,1-difluoro-2,2-dimethylpropyl)phenol
CID 83855896
2-(3-amino-1,1,1,2-tetrafluoropropan-2-yl)phenol
CID 84735412
cyclopenta-1,3-diene;bis(2-(trifluoromethyl)phenol);zirconium
CID 154426888

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(trifluoromethyl)phenyl]phosphanylpentan-3-yl]phenol?
The IUPAC name of 2-[3-[2-(trifluoromethyl)phenyl]phosphanylpentan-3-yl]phenol (CID 71040212) is 2-[3-[2-(trifluoromethyl)phenyl]phosphanylpentan-3-yl]phenol.
What is the SMILES notation for 2-[3-[2-(trifluoromethyl)phenyl]phosphanylpentan-3-yl]phenol?
The canonical SMILES for 2-[3-[2-(trifluoromethyl)phenyl]phosphanylpentan-3-yl]phenol is CCC(CC)(Pc1ccccc1C(F)(F)F)c1ccccc1O.
What is the InChIKey of 2-[3-[2-(trifluoromethyl)phenyl]phosphanylpentan-3-yl]phenol?
The InChIKey is PTCLSJCTUGGPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3OP/c1-3-17(4-2,13-9-5-7-11-15(13)22)23-16-12-8-6-10-14(16)18(19,20)21/h5-12,22-23H,3-4H2,1-2H3.
What are the key properties of 2-[3-[2-(trifluoromethyl)phenyl]phosphanylpentan-3-yl]phenol?
2-[3-[2-(trifluoromethyl)phenyl]phosphanylpentan-3-yl]phenol has a molecular weight of 340.32 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(trifluoromethyl)phenyl]phosphanylpentan-3-yl]phenol is sourced from PubChem (CID 71040212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).