(5-tert-butylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methanol

C14H16FNOS — CID 113447145

IUPAC(5-tert-butylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methanol
SMILESCC(C)(C)c1ccc(C(O)c2ccncc2F)s1
InChIInChI=1S/C14H16FNOS/c1-14(2,3)12-5-4-11(18-12)13(17)9-6-7-16-8-10(9)15/h4-8,13,17H,1-3H3
InChIKeyLDMYWQKHFCHSSR-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.66
Rot. Bonds2

About (5-tert-butylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methanol

(5-tert-butylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methanol (PubChem CID 113447145) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is (5-tert-butylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methanol.

Molecular Properties

Compound Name(5-tert-butylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methanol
PubChem CID113447145
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC Name(5-tert-butylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methanol
SMILESCC(C)(C)c1ccc(C(O)c2ccncc2F)s1
InChIInChI=1S/C14H16FNOS/c1-14(2,3)12-5-4-11(18-12)13(17)9-6-7-16-8-10(9)15/h4-8,13,17H,1-3H3
InChIKeyLDMYWQKHFCHSSR-UHFFFAOYSA-N
XLogP3.66
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methanol?
The IUPAC name of (5-tert-butylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methanol (CID 113447145) is (5-tert-butylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methanol.
What is the SMILES notation for (5-tert-butylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methanol?
The canonical SMILES for (5-tert-butylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methanol is CC(C)(C)c1ccc(C(O)c2ccncc2F)s1.
What is the InChIKey of (5-tert-butylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methanol?
The InChIKey is LDMYWQKHFCHSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c1-14(2,3)12-5-4-11(18-12)13(17)9-6-7-16-8-10(9)15/h4-8,13,17H,1-3H3.
What are the key properties of (5-tert-butylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methanol?
(5-tert-butylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methanol has a molecular weight of 265.35 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methanol is sourced from PubChem (CID 113447145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).