6,6,6-trifluoro-2-methylsulfonyl-N-propylhexan-3-amine

C10H20F3NO2S — CID 104992670

IUPAC6,6,6-trifluoro-2-methylsulfonyl-N-propylhexan-3-amine
SMILESCCCNC(CCC(F)(F)F)C(C)S(C)(=O)=O
InChIInChI=1S/C10H20F3NO2S/c1-4-7-14-9(5-6-10(11,12)13)8(2)17(3,15)16/h8-9,14H,4-7H2,1-3H3
InChIKeyXXEPVNIZALEBMW-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.13
Rot. Bonds7

About 6,6,6-trifluoro-2-methylsulfonyl-N-propylhexan-3-amine

6,6,6-trifluoro-2-methylsulfonyl-N-propylhexan-3-amine (PubChem CID 104992670) has the molecular formula C10H20F3NO2S and a molecular weight of 275.34 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-methylsulfonyl-N-propylhexan-3-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-2-methylsulfonyl-N-propylhexan-3-amine
PubChem CID104992670
Molecular FormulaC10H20F3NO2S
Molecular Weight275.34 g/mol
Exact Mass275.12
IUPAC Name6,6,6-trifluoro-2-methylsulfonyl-N-propylhexan-3-amine
SMILESCCCNC(CCC(F)(F)F)C(C)S(C)(=O)=O
InChIInChI=1S/C10H20F3NO2S/c1-4-7-14-9(5-6-10(11,12)13)8(2)17(3,15)16/h8-9,14H,4-7H2,1-3H3
InChIKeyXXEPVNIZALEBMW-UHFFFAOYSA-N
XLogP2.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,6,6-trifluoro-N-methyl-2-methylsulfonylhexan-3-amine
CID 104992848
5-methyl-2-methylsulfonyl-N-propylheptan-3-amine
CID 115846138
(7,7,7-trifluoro-2-methylsulfonylheptan-3-yl)hydrazine
CID 105328967
2-cyclopropyl-6,6,6-trifluoro-N-propylhexan-3-amine
CID 104992954
1-(3,4-dimethylphenyl)-3-methylsulfonyl-N-propylbutan-2-amine
CID 104519960
3-ethoxy-8,8,8-trifluoro-2,2-dimethyl-N-propyloctan-4-amine
CID 116726022
8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine
CID 115516392
1,1-difluoro-5,5-dimethyl-N-propylhexan-2-amine
CID 103516584
1-(4-fluoro-3,5-dimethylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518934
1-(3-bromothiophen-2-yl)-3-methylsulfonyl-N-propylbutan-2-amine
CID 115848849
N-propyl-4-(3,3,3-trifluoropropoxy)butan-2-amine
CID 82955623
1-(4-tert-butylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518693

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-methylsulfonyl-N-propylhexan-3-amine?
The IUPAC name of 6,6,6-trifluoro-2-methylsulfonyl-N-propylhexan-3-amine (CID 104992670) is 6,6,6-trifluoro-2-methylsulfonyl-N-propylhexan-3-amine.
What is the SMILES notation for 6,6,6-trifluoro-2-methylsulfonyl-N-propylhexan-3-amine?
The canonical SMILES for 6,6,6-trifluoro-2-methylsulfonyl-N-propylhexan-3-amine is CCCNC(CCC(F)(F)F)C(C)S(C)(=O)=O.
What is the InChIKey of 6,6,6-trifluoro-2-methylsulfonyl-N-propylhexan-3-amine?
The InChIKey is XXEPVNIZALEBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2S/c1-4-7-14-9(5-6-10(11,12)13)8(2)17(3,15)16/h8-9,14H,4-7H2,1-3H3.
What are the key properties of 6,6,6-trifluoro-2-methylsulfonyl-N-propylhexan-3-amine?
6,6,6-trifluoro-2-methylsulfonyl-N-propylhexan-3-amine has a molecular weight of 275.34 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-methylsulfonyl-N-propylhexan-3-amine is sourced from PubChem (CID 104992670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).