[4-(fluoromethylsulfonyl)cyclohexyl]methanamine

C8H16FNO2S — CID 84722922

IUPAC[4-(fluoromethylsulfonyl)cyclohexyl]methanamine
SMILESNCC1CCC(S(=O)(=O)CF)CC1
InChIInChI=1S/C8H16FNO2S/c9-6-13(11,12)8-3-1-7(5-10)2-4-8/h7-8H,1-6,10H2
InChIKeyPWQPSZQPLYHXJH-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.85
Rot. Bonds3

About [4-(fluoromethylsulfonyl)cyclohexyl]methanamine

[4-(fluoromethylsulfonyl)cyclohexyl]methanamine (PubChem CID 84722922) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is [4-(fluoromethylsulfonyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(fluoromethylsulfonyl)cyclohexyl]methanamine
PubChem CID84722922
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name[4-(fluoromethylsulfonyl)cyclohexyl]methanamine
SMILESNCC1CCC(S(=O)(=O)CF)CC1
InChIInChI=1S/C8H16FNO2S/c9-6-13(11,12)8-3-1-7(5-10)2-4-8/h7-8H,1-6,10H2
InChIKeyPWQPSZQPLYHXJH-UHFFFAOYSA-N
XLogP0.85
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(fluoromethylsulfonyl)cyclohexyl]methanamine?
The IUPAC name of [4-(fluoromethylsulfonyl)cyclohexyl]methanamine (CID 84722922) is [4-(fluoromethylsulfonyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-(fluoromethylsulfonyl)cyclohexyl]methanamine?
The canonical SMILES for [4-(fluoromethylsulfonyl)cyclohexyl]methanamine is NCC1CCC(S(=O)(=O)CF)CC1.
What is the InChIKey of [4-(fluoromethylsulfonyl)cyclohexyl]methanamine?
The InChIKey is PWQPSZQPLYHXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c9-6-13(11,12)8-3-1-7(5-10)2-4-8/h7-8H,1-6,10H2.
What are the key properties of [4-(fluoromethylsulfonyl)cyclohexyl]methanamine?
[4-(fluoromethylsulfonyl)cyclohexyl]methanamine has a molecular weight of 209.29 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(fluoromethylsulfonyl)cyclohexyl]methanamine is sourced from PubChem (CID 84722922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).