3-(4-fluorophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]cyclobutan-1-amine

C18H19F2N — CID 81370958

IUPAC3-(4-fluorophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]cyclobutan-1-amine
SMILESC[C@@H](NC1CC(c2ccc(F)cc2)C1)c1ccccc1F
InChIInChI=1S/C18H19F2N/c1-12(17-4-2-3-5-18(17)20)21-16-10-14(11-16)13-6-8-15(19)9-7-13/h2-9,12,14,16,21H,10-11H2,1H3/t12-,14?,16?/m1/s1
InChIKeyUWHDPUFENPNMBT-XEBKBJJBSA-N
MW287.35 g/mol
LogP4.56
Rot. Bonds4

About 3-(4-fluorophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]cyclobutan-1-amine

3-(4-fluorophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]cyclobutan-1-amine (PubChem CID 81370958) has the molecular formula C18H19F2N and a molecular weight of 287.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]cyclobutan-1-amine
PubChem CID81370958
Molecular FormulaC18H19F2N
Molecular Weight287.35 g/mol
Exact Mass287.15
IUPAC Name3-(4-fluorophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]cyclobutan-1-amine
SMILESC[C@@H](NC1CC(c2ccc(F)cc2)C1)c1ccccc1F
InChIInChI=1S/C18H19F2N/c1-12(17-4-2-3-5-18(17)20)21-16-10-14(11-16)13-6-8-15(19)9-7-13/h2-9,12,14,16,21H,10-11H2,1H3/t12-,14?,16?/m1/s1
InChIKeyUWHDPUFENPNMBT-XEBKBJJBSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]cyclobutan-1-amine (CID 81370958) is 3-(4-fluorophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]cyclobutan-1-amine is C[C@@H](NC1CC(c2ccc(F)cc2)C1)c1ccccc1F.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]cyclobutan-1-amine?
The InChIKey is UWHDPUFENPNMBT-XEBKBJJBSA-N. The full InChI is InChI=1S/C18H19F2N/c1-12(17-4-2-3-5-18(17)20)21-16-10-14(11-16)13-6-8-15(19)9-7-13/h2-9,12,14,16,21H,10-11H2,1H3/t12-,14?,16?/m1/s1.
What are the key properties of 3-(4-fluorophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]cyclobutan-1-amine?
3-(4-fluorophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]cyclobutan-1-amine has a molecular weight of 287.35 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 81370958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).