(2S)-2-(difluoromethyl)-2,5,5-trifluorofuran

C5H3F5O — CID 95241679

IUPAC(2S)-2-(difluoromethyl)-2,5,5-trifluorofuran
SMILESFC(F)[C@@]1(F)C=CC(F)(F)O1
InChIInChI=1S/C5H3F5O/c6-3(7)4(8)1-2-5(9,10)11-4/h1-3H/t4-/m1/s1
InChIKeyBSAHOECCAIKUGF-SCSAIBSYSA-N
MW174.07 g/mol
LogP2.10
Rot. Bonds1

About (2S)-2-(difluoromethyl)-2,5,5-trifluorofuran

(2S)-2-(difluoromethyl)-2,5,5-trifluorofuran (PubChem CID 95241679) has the molecular formula C5H3F5O and a molecular weight of 174.07 g/mol. Its IUPAC name is (2S)-2-(difluoromethyl)-2,5,5-trifluorofuran.

Molecular Properties

Compound Name(2S)-2-(difluoromethyl)-2,5,5-trifluorofuran
PubChem CID95241679
Molecular FormulaC5H3F5O
Molecular Weight174.07 g/mol
Exact Mass174.01
IUPAC Name(2S)-2-(difluoromethyl)-2,5,5-trifluorofuran
SMILESFC(F)[C@@]1(F)C=CC(F)(F)O1
InChIInChI=1S/C5H3F5O/c6-3(7)4(8)1-2-5(9,10)11-4/h1-3H/t4-/m1/s1
InChIKeyBSAHOECCAIKUGF-SCSAIBSYSA-N
XLogP2.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.07
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(difluoromethyl)-2,5,5-trifluorofuran?
The IUPAC name of (2S)-2-(difluoromethyl)-2,5,5-trifluorofuran (CID 95241679) is (2S)-2-(difluoromethyl)-2,5,5-trifluorofuran.
What is the SMILES notation for (2S)-2-(difluoromethyl)-2,5,5-trifluorofuran?
The canonical SMILES for (2S)-2-(difluoromethyl)-2,5,5-trifluorofuran is FC(F)[C@@]1(F)C=CC(F)(F)O1.
What is the InChIKey of (2S)-2-(difluoromethyl)-2,5,5-trifluorofuran?
The InChIKey is BSAHOECCAIKUGF-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H3F5O/c6-3(7)4(8)1-2-5(9,10)11-4/h1-3H/t4-/m1/s1.
What are the key properties of (2S)-2-(difluoromethyl)-2,5,5-trifluorofuran?
(2S)-2-(difluoromethyl)-2,5,5-trifluorofuran has a molecular weight of 174.07 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(difluoromethyl)-2,5,5-trifluorofuran is sourced from PubChem (CID 95241679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).