5-amino-6-cyclohexyl-1,1,1,2,2-pentafluorohexane-3,4-diol

C12H20F5NO2 — CID 19391141

IUPAC5-amino-6-cyclohexyl-1,1,1,2,2-pentafluorohexane-3,4-diol
SMILESNC(CC1CCCCC1)C(O)C(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H20F5NO2/c13-11(14,12(15,16)17)10(20)9(19)8(18)6-7-4-2-1-3-5-7/h7-10,19-20H,1-6,18H2
InChIKeyHZKJYPGBZWJJAI-UHFFFAOYSA-N
MW305.29 g/mol
LogP2.20
Rot. Bonds5

About 5-amino-6-cyclohexyl-1,1,1,2,2-pentafluorohexane-3,4-diol

5-amino-6-cyclohexyl-1,1,1,2,2-pentafluorohexane-3,4-diol (PubChem CID 19391141) has the molecular formula C12H20F5NO2 and a molecular weight of 305.29 g/mol. Its IUPAC name is 5-amino-6-cyclohexyl-1,1,1,2,2-pentafluorohexane-3,4-diol.

Molecular Properties

Compound Name5-amino-6-cyclohexyl-1,1,1,2,2-pentafluorohexane-3,4-diol
PubChem CID19391141
Molecular FormulaC12H20F5NO2
Molecular Weight305.29 g/mol
Exact Mass305.14
IUPAC Name5-amino-6-cyclohexyl-1,1,1,2,2-pentafluorohexane-3,4-diol
SMILESNC(CC1CCCCC1)C(O)C(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H20F5NO2/c13-11(14,12(15,16)17)10(20)9(19)8(18)6-7-4-2-1-3-5-7/h7-10,19-20H,1-6,18H2
InChIKeyHZKJYPGBZWJJAI-UHFFFAOYSA-N
XLogP2.20
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-cyclohexyl-1,1,1,2,2-pentafluorohexane-3,4-diol?
The IUPAC name of 5-amino-6-cyclohexyl-1,1,1,2,2-pentafluorohexane-3,4-diol (CID 19391141) is 5-amino-6-cyclohexyl-1,1,1,2,2-pentafluorohexane-3,4-diol.
What is the SMILES notation for 5-amino-6-cyclohexyl-1,1,1,2,2-pentafluorohexane-3,4-diol?
The canonical SMILES for 5-amino-6-cyclohexyl-1,1,1,2,2-pentafluorohexane-3,4-diol is NC(CC1CCCCC1)C(O)C(O)C(F)(F)C(F)(F)F.
What is the InChIKey of 5-amino-6-cyclohexyl-1,1,1,2,2-pentafluorohexane-3,4-diol?
The InChIKey is HZKJYPGBZWJJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F5NO2/c13-11(14,12(15,16)17)10(20)9(19)8(18)6-7-4-2-1-3-5-7/h7-10,19-20H,1-6,18H2.
What are the key properties of 5-amino-6-cyclohexyl-1,1,1,2,2-pentafluorohexane-3,4-diol?
5-amino-6-cyclohexyl-1,1,1,2,2-pentafluorohexane-3,4-diol has a molecular weight of 305.29 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-cyclohexyl-1,1,1,2,2-pentafluorohexane-3,4-diol is sourced from PubChem (CID 19391141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).