1,1,1-trifluoro-3-(thiolan-2-yl)propan-2-amine

C7H12F3NS — CID 154518540

IUPAC1,1,1-trifluoro-3-(thiolan-2-yl)propan-2-amine
SMILESNC(CC1CCCS1)C(F)(F)F
InChIInChI=1S/C7H12F3NS/c8-7(9,10)6(11)4-5-2-1-3-12-5/h5-6H,1-4,11H2
InChIKeyVYEAWBKZIDSBPW-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.16
Rot. Bonds2

About 1,1,1-trifluoro-3-(thiolan-2-yl)propan-2-amine

1,1,1-trifluoro-3-(thiolan-2-yl)propan-2-amine (PubChem CID 154518540) has the molecular formula C7H12F3NS and a molecular weight of 199.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(thiolan-2-yl)propan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(thiolan-2-yl)propan-2-amine
PubChem CID154518540
Molecular FormulaC7H12F3NS
Molecular Weight199.24 g/mol
Exact Mass199.06
IUPAC Name1,1,1-trifluoro-3-(thiolan-2-yl)propan-2-amine
SMILESNC(CC1CCCS1)C(F)(F)F
InChIInChI=1S/C7H12F3NS/c8-7(9,10)6(11)4-5-2-1-3-12-5/h5-6H,1-4,11H2
InChIKeyVYEAWBKZIDSBPW-UHFFFAOYSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-6-(trifluoromethyl)thian-4-amine
CID 91004837
1-Ethylsulfanyl-5,5,5-trifluoropentan-2-amine
CID 65128315
4,4,4-Trifluoro-1-(thiolan-2-yl)butan-1-amine
CID 80621890
5-(Trifluoromethyl)thiolan-3-amine
CID 82412158
(3S,5S)-5-(trifluoromethyl)thiolan-3-amine
CID 96631324
(3S,5R)-5-(trifluoromethyl)thiolan-3-amine
CID 96631326
6,6,6-Trifluoro-1-methylsulfanylhexan-3-amine
CID 105156487
7,7,7-Trifluoro-1-methylsulfanylheptan-3-amine
CID 105174470
2-Fluoro-2-(thiolan-2-yl)ethan-1-amine
CID 105429371
2-Fluoro-3-(thiolan-2-yl)propan-1-amine
CID 105432262
2,2-Difluoro-2-(thiolan-2-yl)ethan-1-amine
CID 105433524
2,2-Difluoro-3-(thiolan-2-yl)propan-1-amine
CID 105439606

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(thiolan-2-yl)propan-2-amine?
The IUPAC name of 1,1,1-trifluoro-3-(thiolan-2-yl)propan-2-amine (CID 154518540) is 1,1,1-trifluoro-3-(thiolan-2-yl)propan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-3-(thiolan-2-yl)propan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-3-(thiolan-2-yl)propan-2-amine is NC(CC1CCCS1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(thiolan-2-yl)propan-2-amine?
The InChIKey is VYEAWBKZIDSBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NS/c8-7(9,10)6(11)4-5-2-1-3-12-5/h5-6H,1-4,11H2.
What are the key properties of 1,1,1-trifluoro-3-(thiolan-2-yl)propan-2-amine?
1,1,1-trifluoro-3-(thiolan-2-yl)propan-2-amine has a molecular weight of 199.24 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(thiolan-2-yl)propan-2-amine is sourced from PubChem (CID 154518540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).