(1S,2R)-3-fluoro-2-phenyl-1-thiophen-2-ylbut-3-en-1-ol

C14H13FOS — CID 102368459

IUPAC(1S,2R)-3-fluoro-2-phenyl-1-thiophen-2-ylbut-3-en-1-ol
SMILESC=C(F)[C@H](c1ccccc1)[C@H](O)c1cccs1
InChIInChI=1S/C14H13FOS/c1-10(15)13(11-6-3-2-4-7-11)14(16)12-8-5-9-17-12/h2-9,13-14,16H,1H2/t13-,14-/m1/s1
InChIKeyNGZCYHQRQCGKIP-ZIAGYGMSSA-N
MW248.32 g/mol
LogP4.05
Rot. Bonds4

About (1S,2R)-3-fluoro-2-phenyl-1-thiophen-2-ylbut-3-en-1-ol

(1S,2R)-3-fluoro-2-phenyl-1-thiophen-2-ylbut-3-en-1-ol (PubChem CID 102368459) has the molecular formula C14H13FOS and a molecular weight of 248.32 g/mol. Its IUPAC name is (1S,2R)-3-fluoro-2-phenyl-1-thiophen-2-ylbut-3-en-1-ol.

Molecular Properties

Compound Name(1S,2R)-3-fluoro-2-phenyl-1-thiophen-2-ylbut-3-en-1-ol
PubChem CID102368459
Molecular FormulaC14H13FOS
Molecular Weight248.32 g/mol
Exact Mass248.07
IUPAC Name(1S,2R)-3-fluoro-2-phenyl-1-thiophen-2-ylbut-3-en-1-ol
SMILESC=C(F)[C@H](c1ccccc1)[C@H](O)c1cccs1
InChIInChI=1S/C14H13FOS/c1-10(15)13(11-6-3-2-4-7-11)14(16)12-8-5-9-17-12/h2-9,13-14,16H,1H2/t13-,14-/m1/s1
InChIKeyNGZCYHQRQCGKIP-ZIAGYGMSSA-N
XLogP4.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-3-fluoro-2-phenyl-1-thiophen-2-ylbut-3-en-1-ol?
The IUPAC name of (1S,2R)-3-fluoro-2-phenyl-1-thiophen-2-ylbut-3-en-1-ol (CID 102368459) is (1S,2R)-3-fluoro-2-phenyl-1-thiophen-2-ylbut-3-en-1-ol.
What is the SMILES notation for (1S,2R)-3-fluoro-2-phenyl-1-thiophen-2-ylbut-3-en-1-ol?
The canonical SMILES for (1S,2R)-3-fluoro-2-phenyl-1-thiophen-2-ylbut-3-en-1-ol is C=C(F)[C@H](c1ccccc1)[C@H](O)c1cccs1.
What is the InChIKey of (1S,2R)-3-fluoro-2-phenyl-1-thiophen-2-ylbut-3-en-1-ol?
The InChIKey is NGZCYHQRQCGKIP-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H13FOS/c1-10(15)13(11-6-3-2-4-7-11)14(16)12-8-5-9-17-12/h2-9,13-14,16H,1H2/t13-,14-/m1/s1.
What are the key properties of (1S,2R)-3-fluoro-2-phenyl-1-thiophen-2-ylbut-3-en-1-ol?
(1S,2R)-3-fluoro-2-phenyl-1-thiophen-2-ylbut-3-en-1-ol has a molecular weight of 248.32 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-3-fluoro-2-phenyl-1-thiophen-2-ylbut-3-en-1-ol is sourced from PubChem (CID 102368459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).