1-(4-fluorooctan-2-ylsulfanyl)hexan-2-ol

C14H29FOS — CID 18940175

IUPAC1-(4-fluorooctan-2-ylsulfanyl)hexan-2-ol
SMILESCCCCC(O)CSC(C)CC(F)CCCC
InChIInChI=1S/C14H29FOS/c1-4-6-8-13(15)10-12(3)17-11-14(16)9-7-5-2/h12-14,16H,4-11H2,1-3H3
InChIKeyAEFIXLXJOZXGSJ-UHFFFAOYSA-N
MW264.45 g/mol
LogP4.58
Rot. Bonds11

About 1-(4-fluorooctan-2-ylsulfanyl)hexan-2-ol

1-(4-fluorooctan-2-ylsulfanyl)hexan-2-ol (PubChem CID 18940175) has the molecular formula C14H29FOS and a molecular weight of 264.45 g/mol. Its IUPAC name is 1-(4-fluorooctan-2-ylsulfanyl)hexan-2-ol.

Molecular Properties

Compound Name1-(4-fluorooctan-2-ylsulfanyl)hexan-2-ol
PubChem CID18940175
Molecular FormulaC14H29FOS
Molecular Weight264.45 g/mol
Exact Mass264.19
IUPAC Name1-(4-fluorooctan-2-ylsulfanyl)hexan-2-ol
SMILESCCCCC(O)CSC(C)CC(F)CCCC
InChIInChI=1S/C14H29FOS/c1-4-6-8-13(15)10-12(3)17-11-14(16)9-7-5-2/h12-14,16H,4-11H2,1-3H3
InChIKeyAEFIXLXJOZXGSJ-UHFFFAOYSA-N
XLogP4.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.45
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorooctan-2-ylsulfanyl)hexan-2-ol?
The IUPAC name of 1-(4-fluorooctan-2-ylsulfanyl)hexan-2-ol (CID 18940175) is 1-(4-fluorooctan-2-ylsulfanyl)hexan-2-ol.
What is the SMILES notation for 1-(4-fluorooctan-2-ylsulfanyl)hexan-2-ol?
The canonical SMILES for 1-(4-fluorooctan-2-ylsulfanyl)hexan-2-ol is CCCCC(O)CSC(C)CC(F)CCCC.
What is the InChIKey of 1-(4-fluorooctan-2-ylsulfanyl)hexan-2-ol?
The InChIKey is AEFIXLXJOZXGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FOS/c1-4-6-8-13(15)10-12(3)17-11-14(16)9-7-5-2/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 1-(4-fluorooctan-2-ylsulfanyl)hexan-2-ol?
1-(4-fluorooctan-2-ylsulfanyl)hexan-2-ol has a molecular weight of 264.45 g/mol, XLogP of 4.58, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorooctan-2-ylsulfanyl)hexan-2-ol is sourced from PubChem (CID 18940175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).