2-(cyclobutylmethyl)-2-fluoropropane-1,3-diamine;dihydrochloride

C8H19Cl2FN2 — CID 122239860

IUPAC2-(cyclobutylmethyl)-2-fluoropropane-1,3-diamine;dihydrochloride
SMILESCl.Cl.NCC(F)(CN)CC1CCC1
InChIInChI=1S/C8H17FN2.2ClH/c9-8(5-10,6-11)4-7-2-1-3-7;;/h7H,1-6,10-11H2;2*1H
InChIKeyHRYRDDRTRNRCBW-UHFFFAOYSA-N
MW233.16 g/mol
LogP1.65
Rot. Bonds4

About 2-(cyclobutylmethyl)-2-fluoropropane-1,3-diamine;dihydrochloride

2-(cyclobutylmethyl)-2-fluoropropane-1,3-diamine;dihydrochloride (PubChem CID 122239860) has the molecular formula C8H19Cl2FN2 and a molecular weight of 233.16 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-2-fluoropropane-1,3-diamine;dihydrochloride.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-2-fluoropropane-1,3-diamine;dihydrochloride
PubChem CID122239860
Molecular FormulaC8H19Cl2FN2
Molecular Weight233.16 g/mol
Exact Mass232.09
IUPAC Name2-(cyclobutylmethyl)-2-fluoropropane-1,3-diamine;dihydrochloride
SMILESCl.Cl.NCC(F)(CN)CC1CCC1
InChIInChI=1S/C8H17FN2.2ClH/c9-8(5-10,6-11)4-7-2-1-3-7;;/h7H,1-6,10-11H2;2*1H
InChIKeyHRYRDDRTRNRCBW-UHFFFAOYSA-N
XLogP1.65
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.16
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-2-fluoropropane-1,3-diamine;dihydrochloride?
The IUPAC name of 2-(cyclobutylmethyl)-2-fluoropropane-1,3-diamine;dihydrochloride (CID 122239860) is 2-(cyclobutylmethyl)-2-fluoropropane-1,3-diamine;dihydrochloride.
What is the SMILES notation for 2-(cyclobutylmethyl)-2-fluoropropane-1,3-diamine;dihydrochloride?
The canonical SMILES for 2-(cyclobutylmethyl)-2-fluoropropane-1,3-diamine;dihydrochloride is Cl.Cl.NCC(F)(CN)CC1CCC1.
What is the InChIKey of 2-(cyclobutylmethyl)-2-fluoropropane-1,3-diamine;dihydrochloride?
The InChIKey is HRYRDDRTRNRCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2.2ClH/c9-8(5-10,6-11)4-7-2-1-3-7;;/h7H,1-6,10-11H2;2*1H.
What are the key properties of 2-(cyclobutylmethyl)-2-fluoropropane-1,3-diamine;dihydrochloride?
2-(cyclobutylmethyl)-2-fluoropropane-1,3-diamine;dihydrochloride has a molecular weight of 233.16 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-2-fluoropropane-1,3-diamine;dihydrochloride is sourced from PubChem (CID 122239860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).