5-fluoro-1-(1-thiophen-2-ylcyclohexyl)hept-5-en-1-ol

C17H25FOS — CID 174288899

IUPAC5-fluoro-1-(1-thiophen-2-ylcyclohexyl)hept-5-en-1-ol
SMILESCC=C(F)CCCC(O)C1(c2cccs2)CCCCC1
InChIInChI=1S/C17H25FOS/c1-2-14(18)8-6-9-15(19)17(11-4-3-5-12-17)16-10-7-13-20-16/h2,7,10,13,15,19H,3-6,8-9,11-12H2,1H3
InChIKeyRMYNDTVILCUBHL-UHFFFAOYSA-N
MW296.45 g/mol
LogP5.35
Rot. Bonds6

About 5-fluoro-1-(1-thiophen-2-ylcyclohexyl)hept-5-en-1-ol

5-fluoro-1-(1-thiophen-2-ylcyclohexyl)hept-5-en-1-ol (PubChem CID 174288899) has the molecular formula C17H25FOS and a molecular weight of 296.45 g/mol. Its IUPAC name is 5-fluoro-1-(1-thiophen-2-ylcyclohexyl)hept-5-en-1-ol.

Molecular Properties

Compound Name5-fluoro-1-(1-thiophen-2-ylcyclohexyl)hept-5-en-1-ol
PubChem CID174288899
Molecular FormulaC17H25FOS
Molecular Weight296.45 g/mol
Exact Mass296.16
IUPAC Name5-fluoro-1-(1-thiophen-2-ylcyclohexyl)hept-5-en-1-ol
SMILESCC=C(F)CCCC(O)C1(c2cccs2)CCCCC1
InChIInChI=1S/C17H25FOS/c1-2-14(18)8-6-9-15(19)17(11-4-3-5-12-17)16-10-7-13-20-16/h2,7,10,13,15,19H,3-6,8-9,11-12H2,1H3
InChIKeyRMYNDTVILCUBHL-UHFFFAOYSA-N
XLogP5.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.45
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(1-thiophen-2-ylcyclohexyl)hept-5-en-1-ol?
The IUPAC name of 5-fluoro-1-(1-thiophen-2-ylcyclohexyl)hept-5-en-1-ol (CID 174288899) is 5-fluoro-1-(1-thiophen-2-ylcyclohexyl)hept-5-en-1-ol.
What is the SMILES notation for 5-fluoro-1-(1-thiophen-2-ylcyclohexyl)hept-5-en-1-ol?
The canonical SMILES for 5-fluoro-1-(1-thiophen-2-ylcyclohexyl)hept-5-en-1-ol is CC=C(F)CCCC(O)C1(c2cccs2)CCCCC1.
What is the InChIKey of 5-fluoro-1-(1-thiophen-2-ylcyclohexyl)hept-5-en-1-ol?
The InChIKey is RMYNDTVILCUBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FOS/c1-2-14(18)8-6-9-15(19)17(11-4-3-5-12-17)16-10-7-13-20-16/h2,7,10,13,15,19H,3-6,8-9,11-12H2,1H3.
What are the key properties of 5-fluoro-1-(1-thiophen-2-ylcyclohexyl)hept-5-en-1-ol?
5-fluoro-1-(1-thiophen-2-ylcyclohexyl)hept-5-en-1-ol has a molecular weight of 296.45 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(1-thiophen-2-ylcyclohexyl)hept-5-en-1-ol is sourced from PubChem (CID 174288899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).