(4S)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran

C12H11F3O — CID 85470667

IUPAC(4S)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran
SMILESFC(F)(F)c1ccc([C@@H]2C=COCC2)cc1
InChIInChI=1S/C12H11F3O/c13-12(14,15)11-3-1-9(2-4-11)10-5-7-16-8-6-10/h1-5,7,10H,6,8H2/t10-/m1/s1
InChIKeyGJSWPBMQJFALFM-SNVBAGLBSA-N
MW228.21 g/mol
LogP3.72
Rot. Bonds1

About (4S)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran

(4S)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran (PubChem CID 85470667) has the molecular formula C12H11F3O and a molecular weight of 228.21 g/mol. Its IUPAC name is (4S)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name(4S)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran
PubChem CID85470667
Molecular FormulaC12H11F3O
Molecular Weight228.21 g/mol
Exact Mass228.08
IUPAC Name(4S)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran
SMILESFC(F)(F)c1ccc([C@@H]2C=COCC2)cc1
InChIInChI=1S/C12H11F3O/c13-12(14,15)11-3-1-9(2-4-11)10-5-7-16-8-6-10/h1-5,7,10H,6,8H2/t10-/m1/s1
InChIKeyGJSWPBMQJFALFM-SNVBAGLBSA-N
XLogP3.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran?
The IUPAC name of (4S)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran (CID 85470667) is (4S)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran.
What is the SMILES notation for (4S)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran?
The canonical SMILES for (4S)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran is FC(F)(F)c1ccc([C@@H]2C=COCC2)cc1.
What is the InChIKey of (4S)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran?
The InChIKey is GJSWPBMQJFALFM-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H11F3O/c13-12(14,15)11-3-1-9(2-4-11)10-5-7-16-8-6-10/h1-5,7,10H,6,8H2/t10-/m1/s1.
What are the key properties of (4S)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran?
(4S)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran has a molecular weight of 228.21 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran is sourced from PubChem (CID 85470667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).