(3R)-3-phenyl-2,2-bis(trifluoromethyl)oxirane

C10H6F6O — CID 101101880

IUPAC(3R)-3-phenyl-2,2-bis(trifluoromethyl)oxirane
SMILESFC(F)(F)C1(C(F)(F)F)O[C@@H]1c1ccccc1
InChIInChI=1S/C10H6F6O/c11-9(12,13)8(10(14,15)16)7(17-8)6-4-2-1-3-5-6/h1-5,7H/t7-/m1/s1
InChIKeyPAXXFFRFXMSIRM-SSDOTTSWSA-N
MW256.15 g/mol
LogP3.62
Rot. Bonds1

About (3R)-3-phenyl-2,2-bis(trifluoromethyl)oxirane

(3R)-3-phenyl-2,2-bis(trifluoromethyl)oxirane (PubChem CID 101101880) has the molecular formula C10H6F6O and a molecular weight of 256.15 g/mol. Its IUPAC name is (3R)-3-phenyl-2,2-bis(trifluoromethyl)oxirane.

Molecular Properties

Compound Name(3R)-3-phenyl-2,2-bis(trifluoromethyl)oxirane
PubChem CID101101880
Molecular FormulaC10H6F6O
Molecular Weight256.15 g/mol
Exact Mass256.03
IUPAC Name(3R)-3-phenyl-2,2-bis(trifluoromethyl)oxirane
SMILESFC(F)(F)C1(C(F)(F)F)O[C@@H]1c1ccccc1
InChIInChI=1S/C10H6F6O/c11-9(12,13)8(10(14,15)16)7(17-8)6-4-2-1-3-5-6/h1-5,7H/t7-/m1/s1
InChIKeyPAXXFFRFXMSIRM-SSDOTTSWSA-N
XLogP3.62
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2,3-diphenyl-2-(trifluoromethyl)oxolane
CID 123227157
[(2S)-2-methyl-3-phenyloxiran-2-yl]methanol
CID 146013976
[(1S,2R)-2-phenyl-1-(trifluoromethyl)cyclopropyl]benzene
CID 132581964
(2R,3R)-2-methyl-2,3-diphenyloxirane
CID 11031103
(1R,6R,7S)-4,4-dimethyl-6-phenyl-1-(trifluoromethyl)-2,8-dioxa-5-azabicyclo[5.1.0]octane
CID 132581946
2-methyl-2-[(2-methyl-3-phenyloxiran-2-yl)methoxymethyl]-3-phenyloxirane
CID 139617656
2-[dibromo-[dibromo-(2-methyl-3-phenyloxiran-2-yl)methoxy]methyl]-2-methyl-3-phenyloxirane
CID 134607099
phenyl(3,3,3-trifluoroprop-1-ynyl)iodanium
CID 25186203
(2-fluoro-3-phenyloxiran-2-yl)-phenylmethanone
CID 14343422
(2R)-2-phenyl-1-oxa-4λ4,8λ4-dithiaspiro[2.5]octane 4,8-dioxide
CID 10706239
(3R)-2,2-bis(4-tert-butylphenyl)-3-phenyloxirane
CID 102401506
2-phenyl-1-oxaspiro[2.4]hept-5-en-4-one
CID 132501821

Frequently Asked Questions

What is the IUPAC name of (3R)-3-phenyl-2,2-bis(trifluoromethyl)oxirane?
The IUPAC name of (3R)-3-phenyl-2,2-bis(trifluoromethyl)oxirane (CID 101101880) is (3R)-3-phenyl-2,2-bis(trifluoromethyl)oxirane.
What is the SMILES notation for (3R)-3-phenyl-2,2-bis(trifluoromethyl)oxirane?
The canonical SMILES for (3R)-3-phenyl-2,2-bis(trifluoromethyl)oxirane is FC(F)(F)C1(C(F)(F)F)O[C@@H]1c1ccccc1.
What is the InChIKey of (3R)-3-phenyl-2,2-bis(trifluoromethyl)oxirane?
The InChIKey is PAXXFFRFXMSIRM-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H6F6O/c11-9(12,13)8(10(14,15)16)7(17-8)6-4-2-1-3-5-6/h1-5,7H/t7-/m1/s1.
What are the key properties of (3R)-3-phenyl-2,2-bis(trifluoromethyl)oxirane?
(3R)-3-phenyl-2,2-bis(trifluoromethyl)oxirane has a molecular weight of 256.15 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenyl-2,2-bis(trifluoromethyl)oxirane is sourced from PubChem (CID 101101880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).