N-(3,3,3-trifluoropropyl)thian-3-amine

C8H14F3NS — CID 63226422

IUPACN-(3,3,3-trifluoropropyl)thian-3-amine
SMILESFC(F)(F)CCNC1CCCSC1
InChIInChI=1S/C8H14F3NS/c9-8(10,11)3-4-12-7-2-1-5-13-6-7/h7,12H,1-6H2
InChIKeyRFNSQFGANWSBLU-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.42
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)thian-3-amine

N-(3,3,3-trifluoropropyl)thian-3-amine (PubChem CID 63226422) has the molecular formula C8H14F3NS and a molecular weight of 213.27 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)thian-3-amine.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)thian-3-amine
PubChem CID63226422
Molecular FormulaC8H14F3NS
Molecular Weight213.27 g/mol
Exact Mass213.08
IUPAC NameN-(3,3,3-trifluoropropyl)thian-3-amine
SMILESFC(F)(F)CCNC1CCCSC1
InChIInChI=1S/C8H14F3NS/c9-8(10,11)3-4-12-7-2-1-5-13-6-7/h7,12H,1-6H2
InChIKeyRFNSQFGANWSBLU-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)thian-3-amine?
The IUPAC name of N-(3,3,3-trifluoropropyl)thian-3-amine (CID 63226422) is N-(3,3,3-trifluoropropyl)thian-3-amine.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)thian-3-amine?
The canonical SMILES for N-(3,3,3-trifluoropropyl)thian-3-amine is FC(F)(F)CCNC1CCCSC1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)thian-3-amine?
The InChIKey is RFNSQFGANWSBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NS/c9-8(10,11)3-4-12-7-2-1-5-13-6-7/h7,12H,1-6H2.
What are the key properties of N-(3,3,3-trifluoropropyl)thian-3-amine?
N-(3,3,3-trifluoropropyl)thian-3-amine has a molecular weight of 213.27 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)thian-3-amine is sourced from PubChem (CID 63226422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).