5-(5-fluorothiophen-2-yl)-2-methylpentan-2-ol

C10H15FOS — CID 67059523

IUPAC5-(5-fluorothiophen-2-yl)-2-methylpentan-2-ol
SMILESCC(C)(O)CCCc1ccc(F)s1
InChIInChI=1S/C10H15FOS/c1-10(2,12)7-3-4-8-5-6-9(11)13-8/h5-6,12H,3-4,7H2,1-2H3
InChIKeyBKVIOOFGIMDHSO-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.98
Rot. Bonds4

About 5-(5-fluorothiophen-2-yl)-2-methylpentan-2-ol

5-(5-fluorothiophen-2-yl)-2-methylpentan-2-ol (PubChem CID 67059523) has the molecular formula C10H15FOS and a molecular weight of 202.29 g/mol. Its IUPAC name is 5-(5-fluorothiophen-2-yl)-2-methylpentan-2-ol.

Molecular Properties

Compound Name5-(5-fluorothiophen-2-yl)-2-methylpentan-2-ol
PubChem CID67059523
Molecular FormulaC10H15FOS
Molecular Weight202.29 g/mol
Exact Mass202.08
IUPAC Name5-(5-fluorothiophen-2-yl)-2-methylpentan-2-ol
SMILESCC(C)(O)CCCc1ccc(F)s1
InChIInChI=1S/C10H15FOS/c1-10(2,12)7-3-4-8-5-6-9(11)13-8/h5-6,12H,3-4,7H2,1-2H3
InChIKeyBKVIOOFGIMDHSO-UHFFFAOYSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluorothiophen-2-yl)-2-methylpentan-2-ol?
The IUPAC name of 5-(5-fluorothiophen-2-yl)-2-methylpentan-2-ol (CID 67059523) is 5-(5-fluorothiophen-2-yl)-2-methylpentan-2-ol.
What is the SMILES notation for 5-(5-fluorothiophen-2-yl)-2-methylpentan-2-ol?
The canonical SMILES for 5-(5-fluorothiophen-2-yl)-2-methylpentan-2-ol is CC(C)(O)CCCc1ccc(F)s1.
What is the InChIKey of 5-(5-fluorothiophen-2-yl)-2-methylpentan-2-ol?
The InChIKey is BKVIOOFGIMDHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FOS/c1-10(2,12)7-3-4-8-5-6-9(11)13-8/h5-6,12H,3-4,7H2,1-2H3.
What are the key properties of 5-(5-fluorothiophen-2-yl)-2-methylpentan-2-ol?
5-(5-fluorothiophen-2-yl)-2-methylpentan-2-ol has a molecular weight of 202.29 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluorothiophen-2-yl)-2-methylpentan-2-ol is sourced from PubChem (CID 67059523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).