N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine

C11H18F3NS — CID 43730655

IUPACN-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine
SMILESFC(F)(F)C1CCCCC1NC1CCSC1
InChIInChI=1S/C11H18F3NS/c12-11(13,14)9-3-1-2-4-10(9)15-8-5-6-16-7-8/h8-10,15H,1-7H2
InChIKeyXNLIHLZHLIZOHF-UHFFFAOYSA-N
MW253.33 g/mol
LogP3.20
Rot. Bonds2

About N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine

N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine (PubChem CID 43730655) has the molecular formula C11H18F3NS and a molecular weight of 253.33 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine
PubChem CID43730655
Molecular FormulaC11H18F3NS
Molecular Weight253.33 g/mol
Exact Mass253.11
IUPAC NameN-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine
SMILESFC(F)(F)C1CCCCC1NC1CCSC1
InChIInChI=1S/C11H18F3NS/c12-11(13,14)9-3-1-2-4-10(9)15-8-5-6-16-7-8/h8-10,15H,1-7H2
InChIKeyXNLIHLZHLIZOHF-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine?
The IUPAC name of N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine (CID 43730655) is N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine.
What is the SMILES notation for N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine?
The canonical SMILES for N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine is FC(F)(F)C1CCCCC1NC1CCSC1.
What is the InChIKey of N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine?
The InChIKey is XNLIHLZHLIZOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NS/c12-11(13,14)9-3-1-2-4-10(9)15-8-5-6-16-7-8/h8-10,15H,1-7H2.
What are the key properties of N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine?
N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine has a molecular weight of 253.33 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine is sourced from PubChem (CID 43730655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).