(Z)-1-(2-fluoropropylsulfanyl)but-2-ene

C7H13FS — CID 163536974

IUPAC(Z)-1-(2-fluoropropylsulfanyl)but-2-ene
SMILESC/C=C\CSCC(C)F
InChIInChI=1S/C7H13FS/c1-3-4-5-9-6-7(2)8/h3-4,7H,5-6H2,1-2H3/b4-3-
InChIKeyDXVCKNUNYCZMOJ-ARJAWSKDSA-N
MW148.25 g/mol
LogP2.65
Rot. Bonds4

About (Z)-1-(2-fluoropropylsulfanyl)but-2-ene

(Z)-1-(2-fluoropropylsulfanyl)but-2-ene (PubChem CID 163536974) has the molecular formula C7H13FS and a molecular weight of 148.25 g/mol. Its IUPAC name is (Z)-1-(2-fluoropropylsulfanyl)but-2-ene.

Molecular Properties

Compound Name(Z)-1-(2-fluoropropylsulfanyl)but-2-ene
PubChem CID163536974
Molecular FormulaC7H13FS
Molecular Weight148.25 g/mol
Exact Mass148.07
IUPAC Name(Z)-1-(2-fluoropropylsulfanyl)but-2-ene
SMILESC/C=C\CSCC(C)F
InChIInChI=1S/C7H13FS/c1-3-4-5-9-6-7(2)8/h3-4,7H,5-6H2,1-2H3/b4-3-
InChIKeyDXVCKNUNYCZMOJ-ARJAWSKDSA-N
XLogP2.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2-fluoropropylsulfanyl)but-2-ene?
The IUPAC name of (Z)-1-(2-fluoropropylsulfanyl)but-2-ene (CID 163536974) is (Z)-1-(2-fluoropropylsulfanyl)but-2-ene.
What is the SMILES notation for (Z)-1-(2-fluoropropylsulfanyl)but-2-ene?
The canonical SMILES for (Z)-1-(2-fluoropropylsulfanyl)but-2-ene is C/C=C\CSCC(C)F.
What is the InChIKey of (Z)-1-(2-fluoropropylsulfanyl)but-2-ene?
The InChIKey is DXVCKNUNYCZMOJ-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H13FS/c1-3-4-5-9-6-7(2)8/h3-4,7H,5-6H2,1-2H3/b4-3-.
What are the key properties of (Z)-1-(2-fluoropropylsulfanyl)but-2-ene?
(Z)-1-(2-fluoropropylsulfanyl)but-2-ene has a molecular weight of 148.25 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-fluoropropylsulfanyl)but-2-ene is sourced from PubChem (CID 163536974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).