N-[4-chloro-3-(trifluoromethyl)phenyl]thiolan-3-amine

C11H11ClF3NS — CID 43132893

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]thiolan-3-amine
SMILESFC(F)(F)c1cc(NC2CCSC2)ccc1Cl
InChIInChI=1S/C11H11ClF3NS/c12-10-2-1-7(5-9(10)11(13,14)15)16-8-3-4-17-6-8/h1-2,5,8,16H,3-4,6H2
InChIKeyOSDAIURMKXRDQI-UHFFFAOYSA-N
MW281.73 g/mol
LogP4.28
Rot. Bonds2

About N-[4-chloro-3-(trifluoromethyl)phenyl]thiolan-3-amine

N-[4-chloro-3-(trifluoromethyl)phenyl]thiolan-3-amine (PubChem CID 43132893) has the molecular formula C11H11ClF3NS and a molecular weight of 281.73 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]thiolan-3-amine
PubChem CID43132893
Molecular FormulaC11H11ClF3NS
Molecular Weight281.73 g/mol
Exact Mass281.03
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]thiolan-3-amine
SMILESFC(F)(F)c1cc(NC2CCSC2)ccc1Cl
InChIInChI=1S/C11H11ClF3NS/c12-10-2-1-7(5-9(10)11(13,14)15)16-8-3-4-17-6-8/h1-2,5,8,16H,3-4,6H2
InChIKeyOSDAIURMKXRDQI-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[4-chloro-3-(trifluoromethyl)phenyl]thiolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]thian-3-amine
CID 55129445
N-[4-chloro-3-(trifluoromethyl)phenyl]-5,5-dimethylthian-3-amine
CID 79955067
4-chloro-N-(4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63423296
N-[4-(trifluoromethyl)phenyl]thiolan-3-amine
CID 43192848
2-chloro-5-(thiolan-3-ylamino)benzoic acid
CID 43736227
N-[4-chloro-3-(trifluoromethyl)phenyl]thiolane-3-carboxamide
CID 110863729
4-chloro-N-(3,4-dimethylcyclohexyl)-3-(trifluoromethyl)aniline
CID 64731814
4-chloro-N-(4-propylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63423523
2,6-dichloro-4-(thiolan-3-ylamino)phenol
CID 107678926
N-(3-fluorophenyl)thiolan-3-amine
CID 43194212
N-(3-bromo-4-chlorophenyl)thian-4-amine
CID 75356399
2-[4-chloro-3-(trifluoromethyl)anilino]cycloheptan-1-ol
CID 60900430

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]thiolan-3-amine?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]thiolan-3-amine (CID 43132893) is N-[4-chloro-3-(trifluoromethyl)phenyl]thiolan-3-amine.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]thiolan-3-amine?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]thiolan-3-amine is FC(F)(F)c1cc(NC2CCSC2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]thiolan-3-amine?
The InChIKey is OSDAIURMKXRDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NS/c12-10-2-1-7(5-9(10)11(13,14)15)16-8-3-4-17-6-8/h1-2,5,8,16H,3-4,6H2.
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]thiolan-3-amine?
N-[4-chloro-3-(trifluoromethyl)phenyl]thiolan-3-amine has a molecular weight of 281.73 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]thiolan-3-amine is sourced from PubChem (CID 43132893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).