4,4,4-trifluoro-N-methyl-1-(2-methylthiolan-2-yl)butan-1-amine

C10H18F3NS — CID 105156418

IUPAC4,4,4-trifluoro-N-methyl-1-(2-methylthiolan-2-yl)butan-1-amine
SMILESCNC(CCC(F)(F)F)C1(C)CCCS1
InChIInChI=1S/C10H18F3NS/c1-9(5-3-7-15-9)8(14-2)4-6-10(11,12)13/h8,14H,3-7H2,1-2H3
InChIKeyAUBIRCWTUZZRLV-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.20
Rot. Bonds4

About 4,4,4-trifluoro-N-methyl-1-(2-methylthiolan-2-yl)butan-1-amine

4,4,4-trifluoro-N-methyl-1-(2-methylthiolan-2-yl)butan-1-amine (PubChem CID 105156418) has the molecular formula C10H18F3NS and a molecular weight of 241.32 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-methyl-1-(2-methylthiolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-methyl-1-(2-methylthiolan-2-yl)butan-1-amine
PubChem CID105156418
Molecular FormulaC10H18F3NS
Molecular Weight241.32 g/mol
Exact Mass241.11
IUPAC Name4,4,4-trifluoro-N-methyl-1-(2-methylthiolan-2-yl)butan-1-amine
SMILESCNC(CCC(F)(F)F)C1(C)CCCS1
InChIInChI=1S/C10H18F3NS/c1-9(5-3-7-15-9)8(14-2)4-6-10(11,12)13/h8,14H,3-7H2,1-2H3
InChIKeyAUBIRCWTUZZRLV-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(5,5,5-trifluoro-4-methylpentyl)sulfanylmethyl]pyrrolidine
CID 140997839
2,4-Dimethyl-5-[2-(2,2,2-trifluoroethyl)pentyl]-1,3-thiazolidine
CID 143806352
3-methyl-6-N-(4-methylsulfanylbutyl)-1-N-(2,2,2-trifluoroethyl)heptane-1,6-diamine
CID 146254139
1-(3,5-Dimethylthiolan-2-yl)-2,2,2-trifluoroethanamine
CID 163576724
N-[4-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 43730379
N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 43730655
N-[3-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 43747397
5-methyl-N-[4-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 79941911
5-methyl-N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 79942003
5-methyl-N-[3-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 79942105
N-(thiolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 80584129
N-(thiolan-2-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 80584250

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-methyl-1-(2-methylthiolan-2-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-methyl-1-(2-methylthiolan-2-yl)butan-1-amine (CID 105156418) is 4,4,4-trifluoro-N-methyl-1-(2-methylthiolan-2-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-methyl-1-(2-methylthiolan-2-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-methyl-1-(2-methylthiolan-2-yl)butan-1-amine is CNC(CCC(F)(F)F)C1(C)CCCS1.
What is the InChIKey of 4,4,4-trifluoro-N-methyl-1-(2-methylthiolan-2-yl)butan-1-amine?
The InChIKey is AUBIRCWTUZZRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NS/c1-9(5-3-7-15-9)8(14-2)4-6-10(11,12)13/h8,14H,3-7H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-methyl-1-(2-methylthiolan-2-yl)butan-1-amine?
4,4,4-trifluoro-N-methyl-1-(2-methylthiolan-2-yl)butan-1-amine has a molecular weight of 241.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-methyl-1-(2-methylthiolan-2-yl)butan-1-amine is sourced from PubChem (CID 105156418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).