2-cyclobutyl-2-fluoropropane-1,3-diamine

C7H15FN2 — CID 122239889

IUPAC2-cyclobutyl-2-fluoropropane-1,3-diamine
SMILESNCC(F)(CN)C1CCC1
InChIInChI=1S/C7H15FN2/c8-7(4-9,5-10)6-2-1-3-6/h6H,1-5,9-10H2
InChIKeyRWAKFQMKOTXXPD-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.41
Rot. Bonds3

About 2-cyclobutyl-2-fluoropropane-1,3-diamine

2-cyclobutyl-2-fluoropropane-1,3-diamine (PubChem CID 122239889) has the molecular formula C7H15FN2 and a molecular weight of 146.21 g/mol. Its IUPAC name is 2-cyclobutyl-2-fluoropropane-1,3-diamine.

Molecular Properties

Compound Name2-cyclobutyl-2-fluoropropane-1,3-diamine
PubChem CID122239889
Molecular FormulaC7H15FN2
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name2-cyclobutyl-2-fluoropropane-1,3-diamine
SMILESNCC(F)(CN)C1CCC1
InChIInChI=1S/C7H15FN2/c8-7(4-9,5-10)6-2-1-3-6/h6H,1-5,9-10H2
InChIKeyRWAKFQMKOTXXPD-UHFFFAOYSA-N
XLogP0.41
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-2-fluoropropane-1,3-diamine?
The IUPAC name of 2-cyclobutyl-2-fluoropropane-1,3-diamine (CID 122239889) is 2-cyclobutyl-2-fluoropropane-1,3-diamine.
What is the SMILES notation for 2-cyclobutyl-2-fluoropropane-1,3-diamine?
The canonical SMILES for 2-cyclobutyl-2-fluoropropane-1,3-diamine is NCC(F)(CN)C1CCC1.
What is the InChIKey of 2-cyclobutyl-2-fluoropropane-1,3-diamine?
The InChIKey is RWAKFQMKOTXXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2/c8-7(4-9,5-10)6-2-1-3-6/h6H,1-5,9-10H2.
What are the key properties of 2-cyclobutyl-2-fluoropropane-1,3-diamine?
2-cyclobutyl-2-fluoropropane-1,3-diamine has a molecular weight of 146.21 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-2-fluoropropane-1,3-diamine is sourced from PubChem (CID 122239889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).