(Z)-4-(4-chlorophenyl)sulfanyl-3-fluorobut-2-en-1-amine

C10H11ClFNS — CID 146355836

IUPAC(Z)-4-(4-chlorophenyl)sulfanyl-3-fluorobut-2-en-1-amine
SMILESNC/C=C(\F)CSc1ccc(Cl)cc1
InChIInChI=1S/C10H11ClFNS/c11-8-1-3-10(4-2-8)14-7-9(12)5-6-13/h1-5H,6-7,13H2/b9-5-
InChIKeyNQSKGMVJZFPOFJ-UITAMQMPSA-N
MW231.72 g/mol
LogP3.24
Rot. Bonds4

About (Z)-4-(4-chlorophenyl)sulfanyl-3-fluorobut-2-en-1-amine

(Z)-4-(4-chlorophenyl)sulfanyl-3-fluorobut-2-en-1-amine (PubChem CID 146355836) has the molecular formula C10H11ClFNS and a molecular weight of 231.72 g/mol. Its IUPAC name is (Z)-4-(4-chlorophenyl)sulfanyl-3-fluorobut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-4-(4-chlorophenyl)sulfanyl-3-fluorobut-2-en-1-amine
PubChem CID146355836
Molecular FormulaC10H11ClFNS
Molecular Weight231.72 g/mol
Exact Mass231.03
IUPAC Name(Z)-4-(4-chlorophenyl)sulfanyl-3-fluorobut-2-en-1-amine
SMILESNC/C=C(\F)CSc1ccc(Cl)cc1
InChIInChI=1S/C10H11ClFNS/c11-8-1-3-10(4-2-8)14-7-9(12)5-6-13/h1-5H,6-7,13H2/b9-5-
InChIKeyNQSKGMVJZFPOFJ-UITAMQMPSA-N
XLogP3.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(4-chlorophenyl)sulfanyl-3-fluorobut-2-en-1-amine?
The IUPAC name of (Z)-4-(4-chlorophenyl)sulfanyl-3-fluorobut-2-en-1-amine (CID 146355836) is (Z)-4-(4-chlorophenyl)sulfanyl-3-fluorobut-2-en-1-amine.
What is the SMILES notation for (Z)-4-(4-chlorophenyl)sulfanyl-3-fluorobut-2-en-1-amine?
The canonical SMILES for (Z)-4-(4-chlorophenyl)sulfanyl-3-fluorobut-2-en-1-amine is NC/C=C(\F)CSc1ccc(Cl)cc1.
What is the InChIKey of (Z)-4-(4-chlorophenyl)sulfanyl-3-fluorobut-2-en-1-amine?
The InChIKey is NQSKGMVJZFPOFJ-UITAMQMPSA-N. The full InChI is InChI=1S/C10H11ClFNS/c11-8-1-3-10(4-2-8)14-7-9(12)5-6-13/h1-5H,6-7,13H2/b9-5-.
What are the key properties of (Z)-4-(4-chlorophenyl)sulfanyl-3-fluorobut-2-en-1-amine?
(Z)-4-(4-chlorophenyl)sulfanyl-3-fluorobut-2-en-1-amine has a molecular weight of 231.72 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(4-chlorophenyl)sulfanyl-3-fluorobut-2-en-1-amine is sourced from PubChem (CID 146355836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).