N-ethyl-4,4,4-trifluoro-1-(thiolan-3-yl)butan-1-amine

C10H18F3NS — CID 105156362

IUPACN-ethyl-4,4,4-trifluoro-1-(thiolan-3-yl)butan-1-amine
SMILESCCNC(CCC(F)(F)F)C1CCSC1
InChIInChI=1S/C10H18F3NS/c1-2-14-9(3-5-10(11,12)13)8-4-6-15-7-8/h8-9,14H,2-7H2,1H3
InChIKeyMBTFAVPTGGLOIM-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.06
Rot. Bonds5

About N-ethyl-4,4,4-trifluoro-1-(thiolan-3-yl)butan-1-amine

N-ethyl-4,4,4-trifluoro-1-(thiolan-3-yl)butan-1-amine (PubChem CID 105156362) has the molecular formula C10H18F3NS and a molecular weight of 241.32 g/mol. Its IUPAC name is N-ethyl-4,4,4-trifluoro-1-(thiolan-3-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4,4,4-trifluoro-1-(thiolan-3-yl)butan-1-amine
PubChem CID105156362
Molecular FormulaC10H18F3NS
Molecular Weight241.32 g/mol
Exact Mass241.11
IUPAC NameN-ethyl-4,4,4-trifluoro-1-(thiolan-3-yl)butan-1-amine
SMILESCCNC(CCC(F)(F)F)C1CCSC1
InChIInChI=1S/C10H18F3NS/c1-2-14-9(3-5-10(11,12)13)8-4-6-15-7-8/h8-9,14H,2-7H2,1H3
InChIKeyMBTFAVPTGGLOIM-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5,6,6,6-pentafluoro-N-methyl-4-[2-[4-(methylamino)-3-(1,1,2,2,2-pentafluoroethyl)hexyl]sulfanylethyl]hexan-3-amine
CID 88226834
2-Methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidine
CID 140796110
(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
4-[Cyclopropyl(difluoro)methyl]-2,4,5-trimethyl-1,3-thiazolidine
CID 164038147
N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 43434423
N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434511
N-(3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434639
N-[4-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 43730379
N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 43730655

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4,4-trifluoro-1-(thiolan-3-yl)butan-1-amine?
The IUPAC name of N-ethyl-4,4,4-trifluoro-1-(thiolan-3-yl)butan-1-amine (CID 105156362) is N-ethyl-4,4,4-trifluoro-1-(thiolan-3-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-4,4,4-trifluoro-1-(thiolan-3-yl)butan-1-amine?
The canonical SMILES for N-ethyl-4,4,4-trifluoro-1-(thiolan-3-yl)butan-1-amine is CCNC(CCC(F)(F)F)C1CCSC1.
What is the InChIKey of N-ethyl-4,4,4-trifluoro-1-(thiolan-3-yl)butan-1-amine?
The InChIKey is MBTFAVPTGGLOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NS/c1-2-14-9(3-5-10(11,12)13)8-4-6-15-7-8/h8-9,14H,2-7H2,1H3.
What are the key properties of N-ethyl-4,4,4-trifluoro-1-(thiolan-3-yl)butan-1-amine?
N-ethyl-4,4,4-trifluoro-1-(thiolan-3-yl)butan-1-amine has a molecular weight of 241.32 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4,4-trifluoro-1-(thiolan-3-yl)butan-1-amine is sourced from PubChem (CID 105156362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).