2-(3-fluorothian-4-yl)ethanol

C7H13FOS — CID 105432506

IUPAC2-(3-fluorothian-4-yl)ethanol
SMILESOCCC1CCSCC1F
InChIInChI=1S/C7H13FOS/c8-7-5-10-4-2-6(7)1-3-9/h6-7,9H,1-5H2
InChIKeyYFPJBTVSBTVEIQ-UHFFFAOYSA-N
MW164.24 g/mol
LogP1.46
Rot. Bonds2

About 2-(3-fluorothian-4-yl)ethanol

2-(3-fluorothian-4-yl)ethanol (PubChem CID 105432506) has the molecular formula C7H13FOS and a molecular weight of 164.24 g/mol. Its IUPAC name is 2-(3-fluorothian-4-yl)ethanol.

Molecular Properties

Compound Name2-(3-fluorothian-4-yl)ethanol
PubChem CID105432506
Molecular FormulaC7H13FOS
Molecular Weight164.24 g/mol
Exact Mass164.07
IUPAC Name2-(3-fluorothian-4-yl)ethanol
SMILESOCCC1CCSCC1F
InChIInChI=1S/C7H13FOS/c8-7-5-10-4-2-6(7)1-3-9/h6-7,9H,1-5H2
InChIKeyYFPJBTVSBTVEIQ-UHFFFAOYSA-N
XLogP1.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Hydroxymethyl)tetrahydro-2H-thiopyran
CID 20143654
(Thian-3-yl)methanol
CID 21959000
3-(Trifluoromethyl)tetrahydro-2 H-thiopyran-2-ol
CID 162787536
(3-Fluoro-3,4-dimethylthietan-2-yl)methanol
CID 57565703
2,2,2-trifluoro-1-(tetrahydro-2H-thiopyran-4-yl)ethanol
CID 67403439
6-Fluorothian-2-ol
CID 174527317
(4-Fluorothian-4-yl)methanol
CID 84020828
(3-Fluorothian-3-yl)methanol
CID 84020829
2-(4-Fluorothian-4-yl)ethanol
CID 84651962
[4-(Fluoromethyl)thian-4-yl]methanol
CID 84764831
[4-(Difluoromethyl)thian-4-yl]methanol
CID 84768778
2-(4-Fluorothiolan-3-yl)ethanol
CID 105429477

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorothian-4-yl)ethanol?
The IUPAC name of 2-(3-fluorothian-4-yl)ethanol (CID 105432506) is 2-(3-fluorothian-4-yl)ethanol.
What is the SMILES notation for 2-(3-fluorothian-4-yl)ethanol?
The canonical SMILES for 2-(3-fluorothian-4-yl)ethanol is OCCC1CCSCC1F.
What is the InChIKey of 2-(3-fluorothian-4-yl)ethanol?
The InChIKey is YFPJBTVSBTVEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FOS/c8-7-5-10-4-2-6(7)1-3-9/h6-7,9H,1-5H2.
What are the key properties of 2-(3-fluorothian-4-yl)ethanol?
2-(3-fluorothian-4-yl)ethanol has a molecular weight of 164.24 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorothian-4-yl)ethanol is sourced from PubChem (CID 105432506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).