N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine

C8H12F3NS — CID 106210216

IUPACN-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine
SMILESFC(F)(F)C1(NC2CCSC2)CC1
InChIInChI=1S/C8H12F3NS/c9-8(10,11)7(2-3-7)12-6-1-4-13-5-6/h6,12H,1-5H2
InChIKeyBHXVYWKWDUHZPI-UHFFFAOYSA-N
MW211.25 g/mol
LogP2.18
Rot. Bonds2

About N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine

N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine (PubChem CID 106210216) has the molecular formula C8H12F3NS and a molecular weight of 211.25 g/mol. Its IUPAC name is N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine
PubChem CID106210216
Molecular FormulaC8H12F3NS
Molecular Weight211.25 g/mol
Exact Mass211.06
IUPAC NameN-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine
SMILESFC(F)(F)C1(NC2CCSC2)CC1
InChIInChI=1S/C8H12F3NS/c9-8(10,11)7(2-3-7)12-6-1-4-13-5-6/h6,12H,1-5H2
InChIKeyBHXVYWKWDUHZPI-UHFFFAOYSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine?
The IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine (CID 106210216) is N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine.
What is the SMILES notation for N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine?
The canonical SMILES for N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine is FC(F)(F)C1(NC2CCSC2)CC1.
What is the InChIKey of N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine?
The InChIKey is BHXVYWKWDUHZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NS/c9-8(10,11)7(2-3-7)12-6-1-4-13-5-6/h6,12H,1-5H2.
What are the key properties of N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine?
N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine has a molecular weight of 211.25 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine is sourced from PubChem (CID 106210216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).