[(2S,4E,5S)-4-(fluoromethylidene)-5-methyloxolan-2-yl]methanol

C7H11FO2 — CID 89043739

IUPAC[(2S,4E,5S)-4-(fluoromethylidene)-5-methyloxolan-2-yl]methanol
SMILESC[C@@H]1O[C@H](CO)C/C1=C\F
InChIInChI=1S/C7H11FO2/c1-5-6(3-8)2-7(4-9)10-5/h3,5,7,9H,2,4H2,1H3/b6-3+/t5-,7-/m0/s1
InChIKeySIRZYDOVXNFLQL-ZQVQUMTOSA-N
MW146.16 g/mol
LogP1.01
Rot. Bonds1

About [(2S,4E,5S)-4-(fluoromethylidene)-5-methyloxolan-2-yl]methanol

[(2S,4E,5S)-4-(fluoromethylidene)-5-methyloxolan-2-yl]methanol (PubChem CID 89043739) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is [(2S,4E,5S)-4-(fluoromethylidene)-5-methyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4E,5S)-4-(fluoromethylidene)-5-methyloxolan-2-yl]methanol
PubChem CID89043739
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Name[(2S,4E,5S)-4-(fluoromethylidene)-5-methyloxolan-2-yl]methanol
SMILESC[C@@H]1O[C@H](CO)C/C1=C\F
InChIInChI=1S/C7H11FO2/c1-5-6(3-8)2-7(4-9)10-5/h3,5,7,9H,2,4H2,1H3/b6-3+/t5-,7-/m0/s1
InChIKeySIRZYDOVXNFLQL-ZQVQUMTOSA-N
XLogP1.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,4E,5S)-4-(fluoromethylidene)-5-methyloxolan-2-yl]methanol?
The IUPAC name of [(2S,4E,5S)-4-(fluoromethylidene)-5-methyloxolan-2-yl]methanol (CID 89043739) is [(2S,4E,5S)-4-(fluoromethylidene)-5-methyloxolan-2-yl]methanol.
What is the SMILES notation for [(2S,4E,5S)-4-(fluoromethylidene)-5-methyloxolan-2-yl]methanol?
The canonical SMILES for [(2S,4E,5S)-4-(fluoromethylidene)-5-methyloxolan-2-yl]methanol is C[C@@H]1O[C@H](CO)C/C1=C\F.
What is the InChIKey of [(2S,4E,5S)-4-(fluoromethylidene)-5-methyloxolan-2-yl]methanol?
The InChIKey is SIRZYDOVXNFLQL-ZQVQUMTOSA-N. The full InChI is InChI=1S/C7H11FO2/c1-5-6(3-8)2-7(4-9)10-5/h3,5,7,9H,2,4H2,1H3/b6-3+/t5-,7-/m0/s1.
What are the key properties of [(2S,4E,5S)-4-(fluoromethylidene)-5-methyloxolan-2-yl]methanol?
[(2S,4E,5S)-4-(fluoromethylidene)-5-methyloxolan-2-yl]methanol has a molecular weight of 146.16 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4E,5S)-4-(fluoromethylidene)-5-methyloxolan-2-yl]methanol is sourced from PubChem (CID 89043739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).