1-[2-(fluoromethylsulfonyl)phenyl]cyclopropan-1-amine

C10H12FNO2S — CID 84726146

IUPAC1-[2-(fluoromethylsulfonyl)phenyl]cyclopropan-1-amine
SMILESNC1(c2ccccc2S(=O)(=O)CF)CC1
InChIInChI=1S/C10H12FNO2S/c11-7-15(13,14)9-4-2-1-3-8(9)10(12)5-6-10/h1-4H,5-7,12H2
InChIKeyDYJDQOILMORMDG-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.34
Rot. Bonds3

About 1-[2-(fluoromethylsulfonyl)phenyl]cyclopropan-1-amine

1-[2-(fluoromethylsulfonyl)phenyl]cyclopropan-1-amine (PubChem CID 84726146) has the molecular formula C10H12FNO2S and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[2-(fluoromethylsulfonyl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(fluoromethylsulfonyl)phenyl]cyclopropan-1-amine
PubChem CID84726146
Molecular FormulaC10H12FNO2S
Molecular Weight229.28 g/mol
Exact Mass229.06
IUPAC Name1-[2-(fluoromethylsulfonyl)phenyl]cyclopropan-1-amine
SMILESNC1(c2ccccc2S(=O)(=O)CF)CC1
InChIInChI=1S/C10H12FNO2S/c11-7-15(13,14)9-4-2-1-3-8(9)10(12)5-6-10/h1-4H,5-7,12H2
InChIKeyDYJDQOILMORMDG-UHFFFAOYSA-N
XLogP1.34
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(fluoromethyl)phenyl]cyclopropan-1-amine
CID 84764934
1-(2-cyclobutylsulfonylphenyl)cyclohexan-1-amine
CID 117473650
2-(fluoromethylsulfonyl)benzaldehyde
CID 84721409
1-[(2-fluorophenyl)sulfonylmethyl]cyclopropan-1-amine
CID 84792737
4,4-difluoro-1-(2-methylphenyl)cyclohexan-1-amine;hydrochloride
CID 131637935
1-[2-(2-fluoropropyl)phenyl]cyclobutan-1-amine
CID 117296596
1-[2-(1-fluorocyclohexyl)phenyl]cyclopropan-1-amine
CID 84726857
1-(2-nitrophenyl)cyclopropan-1-amine
CID 55253196
4-fluoro-1-(2-fluorophenyl)-4-methylcyclohexan-1-amine
CID 115034996
2-(1-aminocyclopropyl)-4-bromobenzenesulfonic acid
CID 122529268
3-[2-(1-aminocyclopropyl)phenyl]propanamide
CID 115023620
1-[2-(difluoromethoxy)phenyl]cyclopropan-1-amine
CID 95732347

Frequently Asked Questions

What is the IUPAC name of 1-[2-(fluoromethylsulfonyl)phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(fluoromethylsulfonyl)phenyl]cyclopropan-1-amine (CID 84726146) is 1-[2-(fluoromethylsulfonyl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(fluoromethylsulfonyl)phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(fluoromethylsulfonyl)phenyl]cyclopropan-1-amine is NC1(c2ccccc2S(=O)(=O)CF)CC1.
What is the InChIKey of 1-[2-(fluoromethylsulfonyl)phenyl]cyclopropan-1-amine?
The InChIKey is DYJDQOILMORMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2S/c11-7-15(13,14)9-4-2-1-3-8(9)10(12)5-6-10/h1-4H,5-7,12H2.
What are the key properties of 1-[2-(fluoromethylsulfonyl)phenyl]cyclopropan-1-amine?
1-[2-(fluoromethylsulfonyl)phenyl]cyclopropan-1-amine has a molecular weight of 229.28 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(fluoromethylsulfonyl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 84726146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).