3-fluoro-1-(4-fluorophenyl)-3-methylcyclobutan-1-amine

C11H13F2N — CID 115020964

IUPAC3-fluoro-1-(4-fluorophenyl)-3-methylcyclobutan-1-amine
SMILESCC1(F)CC(N)(c2ccc(F)cc2)C1
InChIInChI=1S/C11H13F2N/c1-10(13)6-11(14,7-10)8-2-4-9(12)5-3-8/h2-5H,6-7,14H2,1H3
InChIKeyUDUMIDKDXCUQRF-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.50
Rot. Bonds1

About 3-fluoro-1-(4-fluorophenyl)-3-methylcyclobutan-1-amine

3-fluoro-1-(4-fluorophenyl)-3-methylcyclobutan-1-amine (PubChem CID 115020964) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-fluoro-1-(4-fluorophenyl)-3-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-fluoro-1-(4-fluorophenyl)-3-methylcyclobutan-1-amine
PubChem CID115020964
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name3-fluoro-1-(4-fluorophenyl)-3-methylcyclobutan-1-amine
SMILESCC1(F)CC(N)(c2ccc(F)cc2)C1
InChIInChI=1S/C11H13F2N/c1-10(13)6-11(14,7-10)8-2-4-9(12)5-3-8/h2-5H,6-7,14H2,1H3
InChIKeyUDUMIDKDXCUQRF-UHFFFAOYSA-N
XLogP2.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(4-fluorophenyl)-3-methylcyclobutan-1-amine?
The IUPAC name of 3-fluoro-1-(4-fluorophenyl)-3-methylcyclobutan-1-amine (CID 115020964) is 3-fluoro-1-(4-fluorophenyl)-3-methylcyclobutan-1-amine.
What is the SMILES notation for 3-fluoro-1-(4-fluorophenyl)-3-methylcyclobutan-1-amine?
The canonical SMILES for 3-fluoro-1-(4-fluorophenyl)-3-methylcyclobutan-1-amine is CC1(F)CC(N)(c2ccc(F)cc2)C1.
What is the InChIKey of 3-fluoro-1-(4-fluorophenyl)-3-methylcyclobutan-1-amine?
The InChIKey is UDUMIDKDXCUQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N/c1-10(13)6-11(14,7-10)8-2-4-9(12)5-3-8/h2-5H,6-7,14H2,1H3.
What are the key properties of 3-fluoro-1-(4-fluorophenyl)-3-methylcyclobutan-1-amine?
3-fluoro-1-(4-fluorophenyl)-3-methylcyclobutan-1-amine has a molecular weight of 197.23 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(4-fluorophenyl)-3-methylcyclobutan-1-amine is sourced from PubChem (CID 115020964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).