N-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine

C12H22F3NS — CID 116616661

IUPACN-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
SMILESCCCNC1CCCCC1CCSC(F)(F)F
InChIInChI=1S/C12H22F3NS/c1-2-8-16-11-6-4-3-5-10(11)7-9-17-12(13,14)15/h10-11,16H,2-9H2,1H3
InChIKeyGQPIGMKOAARSCM-UHFFFAOYSA-N
MW269.38 g/mol
LogP4.19
Rot. Bonds6

About N-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine

N-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine (PubChem CID 116616661) has the molecular formula C12H22F3NS and a molecular weight of 269.38 g/mol. Its IUPAC name is N-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
PubChem CID116616661
Molecular FormulaC12H22F3NS
Molecular Weight269.38 g/mol
Exact Mass269.14
IUPAC NameN-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
SMILESCCCNC1CCCCC1CCSC(F)(F)F
InChIInChI=1S/C12H22F3NS/c1-2-8-16-11-6-4-3-5-10(11)7-9-17-12(13,14)15/h10-11,16H,2-9H2,1H3
InChIKeyGQPIGMKOAARSCM-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The IUPAC name of N-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine (CID 116616661) is N-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for N-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for N-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine is CCCNC1CCCCC1CCSC(F)(F)F.
What is the InChIKey of N-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The InChIKey is GQPIGMKOAARSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NS/c1-2-8-16-11-6-4-3-5-10(11)7-9-17-12(13,14)15/h10-11,16H,2-9H2,1H3.
What are the key properties of N-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
N-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine has a molecular weight of 269.38 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 116616661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).