(2R)-4-(trifluoromethylsulfanyl)butan-2-amine

C5H10F3NS — CID 97031537

IUPAC(2R)-4-(trifluoromethylsulfanyl)butan-2-amine
SMILESC[C@@H](N)CCSC(F)(F)F
InChIInChI=1S/C5H10F3NS/c1-4(9)2-3-10-5(6,7)8/h4H,2-3,9H2,1H3/t4-/m1/s1
InChIKeyAWVAMGGJUNXPRJ-SCSAIBSYSA-N
MW173.20 g/mol
LogP1.98
Rot. Bonds3

About (2R)-4-(trifluoromethylsulfanyl)butan-2-amine

(2R)-4-(trifluoromethylsulfanyl)butan-2-amine (PubChem CID 97031537) has the molecular formula C5H10F3NS and a molecular weight of 173.20 g/mol. Its IUPAC name is (2R)-4-(trifluoromethylsulfanyl)butan-2-amine.

Molecular Properties

Compound Name(2R)-4-(trifluoromethylsulfanyl)butan-2-amine
PubChem CID97031537
Molecular FormulaC5H10F3NS
Molecular Weight173.20 g/mol
Exact Mass173.05
IUPAC Name(2R)-4-(trifluoromethylsulfanyl)butan-2-amine
SMILESC[C@@H](N)CCSC(F)(F)F
InChIInChI=1S/C5H10F3NS/c1-4(9)2-3-10-5(6,7)8/h4H,2-3,9H2,1H3/t4-/m1/s1
InChIKeyAWVAMGGJUNXPRJ-SCSAIBSYSA-N
XLogP1.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.20
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(trifluoromethylsulfanyl)butan-2-amine?
The IUPAC name of (2R)-4-(trifluoromethylsulfanyl)butan-2-amine (CID 97031537) is (2R)-4-(trifluoromethylsulfanyl)butan-2-amine.
What is the SMILES notation for (2R)-4-(trifluoromethylsulfanyl)butan-2-amine?
The canonical SMILES for (2R)-4-(trifluoromethylsulfanyl)butan-2-amine is C[C@@H](N)CCSC(F)(F)F.
What is the InChIKey of (2R)-4-(trifluoromethylsulfanyl)butan-2-amine?
The InChIKey is AWVAMGGJUNXPRJ-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H10F3NS/c1-4(9)2-3-10-5(6,7)8/h4H,2-3,9H2,1H3/t4-/m1/s1.
What are the key properties of (2R)-4-(trifluoromethylsulfanyl)butan-2-amine?
(2R)-4-(trifluoromethylsulfanyl)butan-2-amine has a molecular weight of 173.20 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(trifluoromethylsulfanyl)butan-2-amine is sourced from PubChem (CID 97031537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).