[(2S)-1,1,1-trifluoropropan-2-yl]oxymethylbenzene

C10H11F3O — CID 67197315

IUPAC[(2S)-1,1,1-trifluoropropan-2-yl]oxymethylbenzene
SMILESC[C@H](OCc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H11F3O/c1-8(10(11,12)13)14-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3/t8-/m0/s1
InChIKeyHAFYBOCUFKAFDG-QMMMGPOBSA-N
MW204.19 g/mol
LogP3.15
Rot. Bonds3

About [(2S)-1,1,1-trifluoropropan-2-yl]oxymethylbenzene

[(2S)-1,1,1-trifluoropropan-2-yl]oxymethylbenzene (PubChem CID 67197315) has the molecular formula C10H11F3O and a molecular weight of 204.19 g/mol. Its IUPAC name is [(2S)-1,1,1-trifluoropropan-2-yl]oxymethylbenzene.

Molecular Properties

Compound Name[(2S)-1,1,1-trifluoropropan-2-yl]oxymethylbenzene
PubChem CID67197315
Molecular FormulaC10H11F3O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name[(2S)-1,1,1-trifluoropropan-2-yl]oxymethylbenzene
SMILESC[C@H](OCc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H11F3O/c1-8(10(11,12)13)14-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3/t8-/m0/s1
InChIKeyHAFYBOCUFKAFDG-QMMMGPOBSA-N
XLogP3.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1,1,1-trifluoropropan-2-yl]oxymethylbenzene?
The IUPAC name of [(2S)-1,1,1-trifluoropropan-2-yl]oxymethylbenzene (CID 67197315) is [(2S)-1,1,1-trifluoropropan-2-yl]oxymethylbenzene.
What is the SMILES notation for [(2S)-1,1,1-trifluoropropan-2-yl]oxymethylbenzene?
The canonical SMILES for [(2S)-1,1,1-trifluoropropan-2-yl]oxymethylbenzene is C[C@H](OCc1ccccc1)C(F)(F)F.
What is the InChIKey of [(2S)-1,1,1-trifluoropropan-2-yl]oxymethylbenzene?
The InChIKey is HAFYBOCUFKAFDG-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11F3O/c1-8(10(11,12)13)14-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3/t8-/m0/s1.
What are the key properties of [(2S)-1,1,1-trifluoropropan-2-yl]oxymethylbenzene?
[(2S)-1,1,1-trifluoropropan-2-yl]oxymethylbenzene has a molecular weight of 204.19 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1,1,1-trifluoropropan-2-yl]oxymethylbenzene is sourced from PubChem (CID 67197315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).