2-[(3,4-dichlorophenyl)sulfanylmethyl]-3,3,3-trifluoropropan-1-amine

C10H10Cl2F3NS — CID 103371695

IUPAC2-[(3,4-dichlorophenyl)sulfanylmethyl]-3,3,3-trifluoropropan-1-amine
SMILESNCC(CSc1ccc(Cl)c(Cl)c1)C(F)(F)F
InChIInChI=1S/C10H10Cl2F3NS/c11-8-2-1-7(3-9(8)12)17-5-6(4-16)10(13,14)15/h1-3,6H,4-5,16H2
InChIKeyQVFRRJVKESODKX-UHFFFAOYSA-N
MW304.16 g/mol
LogP4.22
Rot. Bonds4

About 2-[(3,4-dichlorophenyl)sulfanylmethyl]-3,3,3-trifluoropropan-1-amine

2-[(3,4-dichlorophenyl)sulfanylmethyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 103371695) has the molecular formula C10H10Cl2F3NS and a molecular weight of 304.16 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)sulfanylmethyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)sulfanylmethyl]-3,3,3-trifluoropropan-1-amine
PubChem CID103371695
Molecular FormulaC10H10Cl2F3NS
Molecular Weight304.16 g/mol
Exact Mass302.99
IUPAC Name2-[(3,4-dichlorophenyl)sulfanylmethyl]-3,3,3-trifluoropropan-1-amine
SMILESNCC(CSc1ccc(Cl)c(Cl)c1)C(F)(F)F
InChIInChI=1S/C10H10Cl2F3NS/c11-8-2-1-7(3-9(8)12)17-5-6(4-16)10(13,14)15/h1-3,6H,4-5,16H2
InChIKeyQVFRRJVKESODKX-UHFFFAOYSA-N
XLogP4.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)sulfanylmethyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-[(3,4-dichlorophenyl)sulfanylmethyl]-3,3,3-trifluoropropan-1-amine (CID 103371695) is 2-[(3,4-dichlorophenyl)sulfanylmethyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)sulfanylmethyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-[(3,4-dichlorophenyl)sulfanylmethyl]-3,3,3-trifluoropropan-1-amine is NCC(CSc1ccc(Cl)c(Cl)c1)C(F)(F)F.
What is the InChIKey of 2-[(3,4-dichlorophenyl)sulfanylmethyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is QVFRRJVKESODKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2F3NS/c11-8-2-1-7(3-9(8)12)17-5-6(4-16)10(13,14)15/h1-3,6H,4-5,16H2.
What are the key properties of 2-[(3,4-dichlorophenyl)sulfanylmethyl]-3,3,3-trifluoropropan-1-amine?
2-[(3,4-dichlorophenyl)sulfanylmethyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 304.16 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)sulfanylmethyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 103371695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).