2-(cyclohexylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine

C10H18F3NS — CID 103371661

IUPAC2-(cyclohexylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(CSC1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NS/c11-10(12,13)8(6-14)7-15-9-4-2-1-3-5-9/h8-9H,1-7,14H2
InChIKeyGGEWTITXLDVXFH-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.19
Rot. Bonds4

About 2-(cyclohexylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine

2-(cyclohexylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 103371661) has the molecular formula C10H18F3NS and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-(cyclohexylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(cyclohexylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine
PubChem CID103371661
Molecular FormulaC10H18F3NS
Molecular Weight241.32 g/mol
Exact Mass241.11
IUPAC Name2-(cyclohexylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(CSC1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NS/c11-10(12,13)8(6-14)7-15-9-4-2-1-3-5-9/h8-9H,1-7,14H2
InChIKeyGGEWTITXLDVXFH-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(cyclohexylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine (CID 103371661) is 2-(cyclohexylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(cyclohexylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(cyclohexylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine is NCC(CSC1CCCCC1)C(F)(F)F.
What is the InChIKey of 2-(cyclohexylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is GGEWTITXLDVXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NS/c11-10(12,13)8(6-14)7-15-9-4-2-1-3-5-9/h8-9H,1-7,14H2.
What are the key properties of 2-(cyclohexylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine?
2-(cyclohexylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 241.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 103371661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).