[(2R)-1,1,1-trifluoro-6-phenylhexan-2-yl]oxymethylbenzene

C19H21F3O — CID 15402482

IUPAC[(2R)-1,1,1-trifluoro-6-phenylhexan-2-yl]oxymethylbenzene
SMILESFC(F)(F)[C@@H](CCCCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C19H21F3O/c20-19(21,22)18(23-15-17-12-5-2-6-13-17)14-8-7-11-16-9-3-1-4-10-16/h1-6,9-10,12-13,18H,7-8,11,14-15H2/t18-/m1/s1
InChIKeyIFGFCKPCVKWAGL-GOSISDBHSA-N
MW322.37 g/mol
LogP5.55
Rot. Bonds8

About [(2R)-1,1,1-trifluoro-6-phenylhexan-2-yl]oxymethylbenzene

[(2R)-1,1,1-trifluoro-6-phenylhexan-2-yl]oxymethylbenzene (PubChem CID 15402482) has the molecular formula C19H21F3O and a molecular weight of 322.37 g/mol. Its IUPAC name is [(2R)-1,1,1-trifluoro-6-phenylhexan-2-yl]oxymethylbenzene.

Molecular Properties

Compound Name[(2R)-1,1,1-trifluoro-6-phenylhexan-2-yl]oxymethylbenzene
PubChem CID15402482
Molecular FormulaC19H21F3O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name[(2R)-1,1,1-trifluoro-6-phenylhexan-2-yl]oxymethylbenzene
SMILESFC(F)(F)[C@@H](CCCCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C19H21F3O/c20-19(21,22)18(23-15-17-12-5-2-6-13-17)14-8-7-11-16-9-3-1-4-10-16/h1-6,9-10,12-13,18H,7-8,11,14-15H2/t18-/m1/s1
InChIKeyIFGFCKPCVKWAGL-GOSISDBHSA-N
XLogP5.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.37
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(2R)-1,1,1-trifluoro-6-phenylhexan-2-yl]oxymethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Styrene Oxide
CID 7276
Dibenzyl ether
CID 7657
(S)-styrene oxide
CID 114946
(+)-Styrene oxide
CID 114705
Benzyl octyl ether
CID 347508
Benzene, (1-ethoxyethyl)-
CID 18693
Bis(1-phenylethyl) ether
CID 62342
2,2-Diphenyltetrahydrofuran
CID 70175
Methyl trityl ether
CID 136388
Ethyl trityl ether
CID 294563
2H-Pyran, 3,6-dihydro-4-methyl-2-phenyl-
CID 108443
2H-Pyran, tetrahydro-2-methyl-4-methylene-6-phenyl-
CID 121777

Frequently Asked Questions

What is the IUPAC name of [(2R)-1,1,1-trifluoro-6-phenylhexan-2-yl]oxymethylbenzene?
The IUPAC name of [(2R)-1,1,1-trifluoro-6-phenylhexan-2-yl]oxymethylbenzene (CID 15402482) is [(2R)-1,1,1-trifluoro-6-phenylhexan-2-yl]oxymethylbenzene.
What is the SMILES notation for [(2R)-1,1,1-trifluoro-6-phenylhexan-2-yl]oxymethylbenzene?
The canonical SMILES for [(2R)-1,1,1-trifluoro-6-phenylhexan-2-yl]oxymethylbenzene is FC(F)(F)[C@@H](CCCCc1ccccc1)OCc1ccccc1.
What is the InChIKey of [(2R)-1,1,1-trifluoro-6-phenylhexan-2-yl]oxymethylbenzene?
The InChIKey is IFGFCKPCVKWAGL-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21F3O/c20-19(21,22)18(23-15-17-12-5-2-6-13-17)14-8-7-11-16-9-3-1-4-10-16/h1-6,9-10,12-13,18H,7-8,11,14-15H2/t18-/m1/s1.
What are the key properties of [(2R)-1,1,1-trifluoro-6-phenylhexan-2-yl]oxymethylbenzene?
[(2R)-1,1,1-trifluoro-6-phenylhexan-2-yl]oxymethylbenzene has a molecular weight of 322.37 g/mol, XLogP of 5.55, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1,1,1-trifluoro-6-phenylhexan-2-yl]oxymethylbenzene is sourced from PubChem (CID 15402482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).