1-(3,5-difluorophenyl)-3-propan-2-ylcyclobutan-1-amine

C13H17F2N — CID 65017083

IUPAC1-(3,5-difluorophenyl)-3-propan-2-ylcyclobutan-1-amine
SMILESCC(C)C1CC(N)(c2cc(F)cc(F)c2)C1
InChIInChI=1S/C13H17F2N/c1-8(2)9-6-13(16,7-9)10-3-11(14)5-12(15)4-10/h3-5,8-9H,6-7,16H2,1-2H3
InChIKeyJGAPVRFOMUXLKN-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.18
Rot. Bonds2

About 1-(3,5-difluorophenyl)-3-propan-2-ylcyclobutan-1-amine

1-(3,5-difluorophenyl)-3-propan-2-ylcyclobutan-1-amine (PubChem CID 65017083) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-propan-2-ylcyclobutan-1-amine
PubChem CID65017083
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name1-(3,5-difluorophenyl)-3-propan-2-ylcyclobutan-1-amine
SMILESCC(C)C1CC(N)(c2cc(F)cc(F)c2)C1
InChIInChI=1S/C13H17F2N/c1-8(2)9-6-13(16,7-9)10-3-11(14)5-12(15)4-10/h3-5,8-9H,6-7,16H2,1-2H3
InChIKeyJGAPVRFOMUXLKN-UHFFFAOYSA-N
XLogP3.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-propan-2-ylcyclobutan-1-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-3-propan-2-ylcyclobutan-1-amine (CID 65017083) is 1-(3,5-difluorophenyl)-3-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-propan-2-ylcyclobutan-1-amine is CC(C)C1CC(N)(c2cc(F)cc(F)c2)C1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-propan-2-ylcyclobutan-1-amine?
The InChIKey is JGAPVRFOMUXLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-8(2)9-6-13(16,7-9)10-3-11(14)5-12(15)4-10/h3-5,8-9H,6-7,16H2,1-2H3.
What are the key properties of 1-(3,5-difluorophenyl)-3-propan-2-ylcyclobutan-1-amine?
1-(3,5-difluorophenyl)-3-propan-2-ylcyclobutan-1-amine has a molecular weight of 225.28 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 65017083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).