4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine

C12H22F3NS — CID 116616692

IUPAC4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(CCSC(F)(F)F)C1
InChIInChI=1S/C12H22F3NS/c1-8(2)9-3-4-11(16)10(7-9)5-6-17-12(13,14)15/h8-11H,3-7,16H2,1-2H3
InChIKeyHUDKKVIERMNVOS-UHFFFAOYSA-N
MW269.38 g/mol
LogP4.03
Rot. Bonds4

About 4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine

4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine (PubChem CID 116616692) has the molecular formula C12H22F3NS and a molecular weight of 269.38 g/mol. Its IUPAC name is 4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
PubChem CID116616692
Molecular FormulaC12H22F3NS
Molecular Weight269.38 g/mol
Exact Mass269.14
IUPAC Name4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(CCSC(F)(F)F)C1
InChIInChI=1S/C12H22F3NS/c1-8(2)9-3-4-11(16)10(7-9)5-6-17-12(13,14)15/h8-11H,3-7,16H2,1-2H3
InChIKeyHUDKKVIERMNVOS-UHFFFAOYSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(Aminomethylsulfanyl)cyclohexyl]-4,4,4-trifluorobutan-2-amine
CID 129095722
1-[4-(Aminomethylsulfanyl)cyclohexyl]-1,1-difluoropropan-2-amine
CID 129096040
5,5,5-Trifluoro-1-(thian-4-yl)pentan-2-amine
CID 105156348
6,6,6-Trifluoro-1-(thian-4-yl)hexan-2-amine
CID 105174339
4-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 113242985
N-ethyl-4-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 113544022
4-ethyl-N-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 113544023
N,4-diethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 113544024
4-Propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 113544025
N-methyl-4-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 113544026
[4-Ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 113545469
[4-Propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 113545470

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine (CID 116616692) is 4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine is CC(C)C1CCC(N)C(CCSC(F)(F)F)C1.
What is the InChIKey of 4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The InChIKey is HUDKKVIERMNVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NS/c1-8(2)9-3-4-11(16)10(7-9)5-6-17-12(13,14)15/h8-11H,3-7,16H2,1-2H3.
What are the key properties of 4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine has a molecular weight of 269.38 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 116616692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).