4-[3-(fluoromethyl)but-3-en-2-ylsulfanyl]pentan-1-ol

C10H19FOS — CID 156543506

IUPAC4-[3-(fluoromethyl)but-3-en-2-ylsulfanyl]pentan-1-ol
SMILESC=C(CF)C(C)SC(C)CCCO
InChIInChI=1S/C10H19FOS/c1-8(7-11)10(3)13-9(2)5-4-6-12/h9-10,12H,1,4-7H2,2-3H3
InChIKeyCJCQPBIGJIWWPI-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.79
Rot. Bonds7

About 4-[3-(fluoromethyl)but-3-en-2-ylsulfanyl]pentan-1-ol

4-[3-(fluoromethyl)but-3-en-2-ylsulfanyl]pentan-1-ol (PubChem CID 156543506) has the molecular formula C10H19FOS and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-[3-(fluoromethyl)but-3-en-2-ylsulfanyl]pentan-1-ol.

Molecular Properties

Compound Name4-[3-(fluoromethyl)but-3-en-2-ylsulfanyl]pentan-1-ol
PubChem CID156543506
Molecular FormulaC10H19FOS
Molecular Weight206.33 g/mol
Exact Mass206.11
IUPAC Name4-[3-(fluoromethyl)but-3-en-2-ylsulfanyl]pentan-1-ol
SMILESC=C(CF)C(C)SC(C)CCCO
InChIInChI=1S/C10H19FOS/c1-8(7-11)10(3)13-9(2)5-4-6-12/h9-10,12H,1,4-7H2,2-3H3
InChIKeyCJCQPBIGJIWWPI-UHFFFAOYSA-N
XLogP2.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(fluoromethyl)but-3-en-2-ylsulfanyl]pentan-1-ol?
The IUPAC name of 4-[3-(fluoromethyl)but-3-en-2-ylsulfanyl]pentan-1-ol (CID 156543506) is 4-[3-(fluoromethyl)but-3-en-2-ylsulfanyl]pentan-1-ol.
What is the SMILES notation for 4-[3-(fluoromethyl)but-3-en-2-ylsulfanyl]pentan-1-ol?
The canonical SMILES for 4-[3-(fluoromethyl)but-3-en-2-ylsulfanyl]pentan-1-ol is C=C(CF)C(C)SC(C)CCCO.
What is the InChIKey of 4-[3-(fluoromethyl)but-3-en-2-ylsulfanyl]pentan-1-ol?
The InChIKey is CJCQPBIGJIWWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FOS/c1-8(7-11)10(3)13-9(2)5-4-6-12/h9-10,12H,1,4-7H2,2-3H3.
What are the key properties of 4-[3-(fluoromethyl)but-3-en-2-ylsulfanyl]pentan-1-ol?
4-[3-(fluoromethyl)but-3-en-2-ylsulfanyl]pentan-1-ol has a molecular weight of 206.33 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(fluoromethyl)but-3-en-2-ylsulfanyl]pentan-1-ol is sourced from PubChem (CID 156543506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).