(4E)-4-(fluoromethylidene)-1-methylpyrrolidine-2-thiol

C6H10FNS — CID 166984270

IUPAC(4E)-4-(fluoromethylidene)-1-methylpyrrolidine-2-thiol
SMILESCN1C/C(=C/F)CC1S
InChIInChI=1S/C6H10FNS/c1-8-4-5(3-7)2-6(8)9/h3,6,9H,2,4H2,1H3/b5-3+
InChIKeyDVXCJYGTTXYVBG-HWKANZROSA-N
MW147.22 g/mol
LogP1.43
Rot. Bonds

About (4E)-4-(fluoromethylidene)-1-methylpyrrolidine-2-thiol

(4E)-4-(fluoromethylidene)-1-methylpyrrolidine-2-thiol (PubChem CID 166984270) has the molecular formula C6H10FNS and a molecular weight of 147.22 g/mol. Its IUPAC name is (4E)-4-(fluoromethylidene)-1-methylpyrrolidine-2-thiol.

Molecular Properties

Compound Name(4E)-4-(fluoromethylidene)-1-methylpyrrolidine-2-thiol
PubChem CID166984270
Molecular FormulaC6H10FNS
Molecular Weight147.22 g/mol
Exact Mass147.05
IUPAC Name(4E)-4-(fluoromethylidene)-1-methylpyrrolidine-2-thiol
SMILESCN1C/C(=C/F)CC1S
InChIInChI=1S/C6H10FNS/c1-8-4-5(3-7)2-6(8)9/h3,6,9H,2,4H2,1H3/b5-3+
InChIKeyDVXCJYGTTXYVBG-HWKANZROSA-N
XLogP1.43
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-(fluoromethylidene)-1-methylpyrrolidine-2-thiol?
The IUPAC name of (4E)-4-(fluoromethylidene)-1-methylpyrrolidine-2-thiol (CID 166984270) is (4E)-4-(fluoromethylidene)-1-methylpyrrolidine-2-thiol.
What is the SMILES notation for (4E)-4-(fluoromethylidene)-1-methylpyrrolidine-2-thiol?
The canonical SMILES for (4E)-4-(fluoromethylidene)-1-methylpyrrolidine-2-thiol is CN1C/C(=C/F)CC1S.
What is the InChIKey of (4E)-4-(fluoromethylidene)-1-methylpyrrolidine-2-thiol?
The InChIKey is DVXCJYGTTXYVBG-HWKANZROSA-N. The full InChI is InChI=1S/C6H10FNS/c1-8-4-5(3-7)2-6(8)9/h3,6,9H,2,4H2,1H3/b5-3+.
What are the key properties of (4E)-4-(fluoromethylidene)-1-methylpyrrolidine-2-thiol?
(4E)-4-(fluoromethylidene)-1-methylpyrrolidine-2-thiol has a molecular weight of 147.22 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(fluoromethylidene)-1-methylpyrrolidine-2-thiol is sourced from PubChem (CID 166984270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).