4-(fluoromethylsulfonyl)butan-2-amine

C5H12FNO2S — CID 84717335

IUPAC4-(fluoromethylsulfonyl)butan-2-amine
SMILESCC(N)CCS(=O)(=O)CF
InChIInChI=1S/C5H12FNO2S/c1-5(7)2-3-10(8,9)4-6/h5H,2-4,7H2,1H3
InChIKeyYLXKZRLUFCINEP-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.07
Rot. Bonds4

About 4-(fluoromethylsulfonyl)butan-2-amine

4-(fluoromethylsulfonyl)butan-2-amine (PubChem CID 84717335) has the molecular formula C5H12FNO2S and a molecular weight of 169.22 g/mol. Its IUPAC name is 4-(fluoromethylsulfonyl)butan-2-amine.

Molecular Properties

Compound Name4-(fluoromethylsulfonyl)butan-2-amine
PubChem CID84717335
Molecular FormulaC5H12FNO2S
Molecular Weight169.22 g/mol
Exact Mass169.06
IUPAC Name4-(fluoromethylsulfonyl)butan-2-amine
SMILESCC(N)CCS(=O)(=O)CF
InChIInChI=1S/C5H12FNO2S/c1-5(7)2-3-10(8,9)4-6/h5H,2-4,7H2,1H3
InChIKeyYLXKZRLUFCINEP-UHFFFAOYSA-N
XLogP0.07
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethylsulfonylethylsulfonyl)butan-2-amine
CID 81195480
4-decylsulfonylbutan-2-amine
CID 81195492
CID 87787087
CID 87787087
3-(3-aminobutylsulfonyl)-N-methylpropanamide
CID 81193833
4-[2-(2-methoxyethoxy)ethylsulfonyl]butan-2-amine
CID 81194023
5-(fluoromethylsulfonyl)-2-methylpentanoic acid
CID 84723411
4-[2-[2-(2-butoxyethoxy)ethoxy]ethylsulfonyl]butan-2-amine
CID 104568967
(5R)-hexane-2,5-diamine
CID 144618459
(2S)-4-fluorobutan-2-amine;hydrochloride
CID 155904889
4-cyclopentylsulfonylbutan-2-amine
CID 64674097
4-(3-phenoxypropylsulfonyl)butan-2-amine
CID 81193496
ethane-1,1-diol;fluoromethanesulfonic acid
CID 87128075

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethylsulfonyl)butan-2-amine?
The IUPAC name of 4-(fluoromethylsulfonyl)butan-2-amine (CID 84717335) is 4-(fluoromethylsulfonyl)butan-2-amine.
What is the SMILES notation for 4-(fluoromethylsulfonyl)butan-2-amine?
The canonical SMILES for 4-(fluoromethylsulfonyl)butan-2-amine is CC(N)CCS(=O)(=O)CF.
What is the InChIKey of 4-(fluoromethylsulfonyl)butan-2-amine?
The InChIKey is YLXKZRLUFCINEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO2S/c1-5(7)2-3-10(8,9)4-6/h5H,2-4,7H2,1H3.
What are the key properties of 4-(fluoromethylsulfonyl)butan-2-amine?
4-(fluoromethylsulfonyl)butan-2-amine has a molecular weight of 169.22 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethylsulfonyl)butan-2-amine is sourced from PubChem (CID 84717335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).