thiophen-3-yl-[4-(trifluoromethyl)cyclohexyl]methanamine

C12H16F3NS — CID 105154124

IUPACthiophen-3-yl-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESNC(c1ccsc1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H16F3NS/c13-12(14,15)10-3-1-8(2-4-10)11(16)9-5-6-17-7-9/h5-8,10-11H,1-4,16H2
InChIKeyUWHSCWMZMNUUBZ-UHFFFAOYSA-N
MW263.33 g/mol
LogP4.12
Rot. Bonds2

About thiophen-3-yl-[4-(trifluoromethyl)cyclohexyl]methanamine

thiophen-3-yl-[4-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105154124) has the molecular formula C12H16F3NS and a molecular weight of 263.33 g/mol. Its IUPAC name is thiophen-3-yl-[4-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Namethiophen-3-yl-[4-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105154124
Molecular FormulaC12H16F3NS
Molecular Weight263.33 g/mol
Exact Mass263.10
IUPAC Namethiophen-3-yl-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESNC(c1ccsc1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H16F3NS/c13-12(14,15)10-3-1-8(2-4-10)11(16)9-5-6-17-7-9/h5-8,10-11H,1-4,16H2
InChIKeyUWHSCWMZMNUUBZ-UHFFFAOYSA-N
XLogP4.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of thiophen-3-yl-[4-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of thiophen-3-yl-[4-(trifluoromethyl)cyclohexyl]methanamine (CID 105154124) is thiophen-3-yl-[4-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for thiophen-3-yl-[4-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for thiophen-3-yl-[4-(trifluoromethyl)cyclohexyl]methanamine is NC(c1ccsc1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of thiophen-3-yl-[4-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is UWHSCWMZMNUUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NS/c13-12(14,15)10-3-1-8(2-4-10)11(16)9-5-6-17-7-9/h5-8,10-11H,1-4,16H2.
What are the key properties of thiophen-3-yl-[4-(trifluoromethyl)cyclohexyl]methanamine?
thiophen-3-yl-[4-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 263.33 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-3-yl-[4-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105154124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).