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

C10H10Cl2FNS — CID 146355826

IUPAC(Z)-4-(2,4-dichlorophenyl)sulfanyl-3-fluorobut-2-en-1-amine
SMILESNC/C=C(\F)CSc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H10Cl2FNS/c11-7-1-2-10(9(12)5-7)15-6-8(13)3-4-14/h1-3,5H,4,6,14H2/b8-3-
InChIKeyDQNDYPYJKNQEKX-BAQGIRSFSA-N
MW266.17 g/mol
LogP3.90
Rot. Bonds4

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

(Z)-4-(2,4-dichlorophenyl)sulfanyl-3-fluorobut-2-en-1-amine (PubChem CID 146355826) has the molecular formula C10H10Cl2FNS and a molecular weight of 266.17 g/mol. Its IUPAC name is (Z)-4-(2,4-dichlorophenyl)sulfanyl-3-fluorobut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-4-(2,4-dichlorophenyl)sulfanyl-3-fluorobut-2-en-1-amine
PubChem CID146355826
Molecular FormulaC10H10Cl2FNS
Molecular Weight266.17 g/mol
Exact Mass264.99
IUPAC Name(Z)-4-(2,4-dichlorophenyl)sulfanyl-3-fluorobut-2-en-1-amine
SMILESNC/C=C(\F)CSc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H10Cl2FNS/c11-7-1-2-10(9(12)5-7)15-6-8(13)3-4-14/h1-3,5H,4,6,14H2/b8-3-
InChIKeyDQNDYPYJKNQEKX-BAQGIRSFSA-N
XLogP3.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2,4-dichlorophenyl)sulfanyl-3-fluorobut-2-en-1-amine?
The IUPAC name of (Z)-4-(2,4-dichlorophenyl)sulfanyl-3-fluorobut-2-en-1-amine (CID 146355826) is (Z)-4-(2,4-dichlorophenyl)sulfanyl-3-fluorobut-2-en-1-amine.
What is the SMILES notation for (Z)-4-(2,4-dichlorophenyl)sulfanyl-3-fluorobut-2-en-1-amine?
The canonical SMILES for (Z)-4-(2,4-dichlorophenyl)sulfanyl-3-fluorobut-2-en-1-amine is NC/C=C(\F)CSc1ccc(Cl)cc1Cl.
What is the InChIKey of (Z)-4-(2,4-dichlorophenyl)sulfanyl-3-fluorobut-2-en-1-amine?
The InChIKey is DQNDYPYJKNQEKX-BAQGIRSFSA-N. The full InChI is InChI=1S/C10H10Cl2FNS/c11-7-1-2-10(9(12)5-7)15-6-8(13)3-4-14/h1-3,5H,4,6,14H2/b8-3-.
What are the key properties of (Z)-4-(2,4-dichlorophenyl)sulfanyl-3-fluorobut-2-en-1-amine?
(Z)-4-(2,4-dichlorophenyl)sulfanyl-3-fluorobut-2-en-1-amine has a molecular weight of 266.17 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2,4-dichlorophenyl)sulfanyl-3-fluorobut-2-en-1-amine is sourced from PubChem (CID 146355826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).