2-cyclohexyl-2-fluoropropane-1,3-diamine;dihydrochloride

C9H21Cl2FN2 — CID 122239786

IUPAC2-cyclohexyl-2-fluoropropane-1,3-diamine;dihydrochloride
SMILESCl.Cl.NCC(F)(CN)C1CCCCC1
InChIInChI=1S/C9H19FN2.2ClH/c10-9(6-11,7-12)8-4-2-1-3-5-8;;/h8H,1-7,11-12H2;2*1H
InChIKeyOPUUPQMZNRXCTJ-UHFFFAOYSA-N
MW247.18 g/mol
LogP2.04
Rot. Bonds3

About 2-cyclohexyl-2-fluoropropane-1,3-diamine;dihydrochloride

2-cyclohexyl-2-fluoropropane-1,3-diamine;dihydrochloride (PubChem CID 122239786) has the molecular formula C9H21Cl2FN2 and a molecular weight of 247.18 g/mol. Its IUPAC name is 2-cyclohexyl-2-fluoropropane-1,3-diamine;dihydrochloride.

Molecular Properties

Compound Name2-cyclohexyl-2-fluoropropane-1,3-diamine;dihydrochloride
PubChem CID122239786
Molecular FormulaC9H21Cl2FN2
Molecular Weight247.18 g/mol
Exact Mass246.11
IUPAC Name2-cyclohexyl-2-fluoropropane-1,3-diamine;dihydrochloride
SMILESCl.Cl.NCC(F)(CN)C1CCCCC1
InChIInChI=1S/C9H19FN2.2ClH/c10-9(6-11,7-12)8-4-2-1-3-5-8;;/h8H,1-7,11-12H2;2*1H
InChIKeyOPUUPQMZNRXCTJ-UHFFFAOYSA-N
XLogP2.04
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-fluoropropane-1,3-diamine;dihydrochloride?
The IUPAC name of 2-cyclohexyl-2-fluoropropane-1,3-diamine;dihydrochloride (CID 122239786) is 2-cyclohexyl-2-fluoropropane-1,3-diamine;dihydrochloride.
What is the SMILES notation for 2-cyclohexyl-2-fluoropropane-1,3-diamine;dihydrochloride?
The canonical SMILES for 2-cyclohexyl-2-fluoropropane-1,3-diamine;dihydrochloride is Cl.Cl.NCC(F)(CN)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-fluoropropane-1,3-diamine;dihydrochloride?
The InChIKey is OPUUPQMZNRXCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2.2ClH/c10-9(6-11,7-12)8-4-2-1-3-5-8;;/h8H,1-7,11-12H2;2*1H.
What are the key properties of 2-cyclohexyl-2-fluoropropane-1,3-diamine;dihydrochloride?
2-cyclohexyl-2-fluoropropane-1,3-diamine;dihydrochloride has a molecular weight of 247.18 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-fluoropropane-1,3-diamine;dihydrochloride is sourced from PubChem (CID 122239786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).