1-cyclohexyl-2-[4-(1-fluoroethyl)-4,5,8,10-tetrazatricyclo[6.3.0.02,6]undeca-1(11),2,5,9-tetraen-7-yl]ethanol;fluoromethane

C18H26F2N4O — CID 145352011

IUPAC1-cyclohexyl-2-[4-(1-fluoroethyl)-4,5,8,10-tetrazatricyclo[6.3.0.02,6]undeca-1(11),2,5,9-tetraen-7-yl]ethanol;fluoromethane
SMILESCC(F)n1cc2c(n1)C(CC(O)C1CCCCC1)n1cncc1-2.CF
InChIInChI=1S/C17H23FN4O.CH3F/c1-11(18)22-9-13-15-8-19-10-21(15)14(17(13)20-22)7-16(23)12-5-3-2-4-6-12;1-2/h8-12,14,16,23H,2-7H2,1H3;1H3
InChIKeyCHZVWNNPFODQKK-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.05
Rot. Bonds4

About 1-cyclohexyl-2-[4-(1-fluoroethyl)-4,5,8,10-tetrazatricyclo[6.3.0.02,6]undeca-1(11),2,5,9-tetraen-7-yl]ethanol;fluoromethane

1-cyclohexyl-2-[4-(1-fluoroethyl)-4,5,8,10-tetrazatricyclo[6.3.0.02,6]undeca-1(11),2,5,9-tetraen-7-yl]ethanol;fluoromethane (PubChem CID 145352011) has the molecular formula C18H26F2N4O and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-cyclohexyl-2-[4-(1-fluoroethyl)-4,5,8,10-tetrazatricyclo[6.3.0.02,6]undeca-1(11),2,5,9-tetraen-7-yl]ethanol;fluoromethane.

Molecular Properties

Compound Name1-cyclohexyl-2-[4-(1-fluoroethyl)-4,5,8,10-tetrazatricyclo[6.3.0.02,6]undeca-1(11),2,5,9-tetraen-7-yl]ethanol;fluoromethane
PubChem CID145352011
Molecular FormulaC18H26F2N4O
Molecular Weight352.43 g/mol
Exact Mass352.21
IUPAC Name1-cyclohexyl-2-[4-(1-fluoroethyl)-4,5,8,10-tetrazatricyclo[6.3.0.02,6]undeca-1(11),2,5,9-tetraen-7-yl]ethanol;fluoromethane
SMILESCC(F)n1cc2c(n1)C(CC(O)C1CCCCC1)n1cncc1-2.CF
InChIInChI=1S/C17H23FN4O.CH3F/c1-11(18)22-9-13-15-8-19-10-21(15)14(17(13)20-22)7-16(23)12-5-3-2-4-6-12;1-2/h8-12,14,16,23H,2-7H2,1H3;1H3
InChIKeyCHZVWNNPFODQKK-UHFFFAOYSA-N
XLogP4.05
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclohexyl-2-[4-(1-fluoroethyl)-4,5,8,10-tetrazatricyclo[6.3.0.02,6]undeca-1(11),2,5,9-tetraen-7-yl]ethanol;fluoromethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[4-(1-fluoroethyl)-4,5,8,10-tetrazatricyclo[6.3.0.02,6]undeca-1(11),2,5,9-tetraen-7-yl]ethanol;fluoromethane?
The IUPAC name of 1-cyclohexyl-2-[4-(1-fluoroethyl)-4,5,8,10-tetrazatricyclo[6.3.0.02,6]undeca-1(11),2,5,9-tetraen-7-yl]ethanol;fluoromethane (CID 145352011) is 1-cyclohexyl-2-[4-(1-fluoroethyl)-4,5,8,10-tetrazatricyclo[6.3.0.02,6]undeca-1(11),2,5,9-tetraen-7-yl]ethanol;fluoromethane.
What is the SMILES notation for 1-cyclohexyl-2-[4-(1-fluoroethyl)-4,5,8,10-tetrazatricyclo[6.3.0.02,6]undeca-1(11),2,5,9-tetraen-7-yl]ethanol;fluoromethane?
The canonical SMILES for 1-cyclohexyl-2-[4-(1-fluoroethyl)-4,5,8,10-tetrazatricyclo[6.3.0.02,6]undeca-1(11),2,5,9-tetraen-7-yl]ethanol;fluoromethane is CC(F)n1cc2c(n1)C(CC(O)C1CCCCC1)n1cncc1-2.CF.
What is the InChIKey of 1-cyclohexyl-2-[4-(1-fluoroethyl)-4,5,8,10-tetrazatricyclo[6.3.0.02,6]undeca-1(11),2,5,9-tetraen-7-yl]ethanol;fluoromethane?
The InChIKey is CHZVWNNPFODQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O.CH3F/c1-11(18)22-9-13-15-8-19-10-21(15)14(17(13)20-22)7-16(23)12-5-3-2-4-6-12;1-2/h8-12,14,16,23H,2-7H2,1H3;1H3.
What are the key properties of 1-cyclohexyl-2-[4-(1-fluoroethyl)-4,5,8,10-tetrazatricyclo[6.3.0.02,6]undeca-1(11),2,5,9-tetraen-7-yl]ethanol;fluoromethane?
1-cyclohexyl-2-[4-(1-fluoroethyl)-4,5,8,10-tetrazatricyclo[6.3.0.02,6]undeca-1(11),2,5,9-tetraen-7-yl]ethanol;fluoromethane has a molecular weight of 352.43 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[4-(1-fluoroethyl)-4,5,8,10-tetrazatricyclo[6.3.0.02,6]undeca-1(11),2,5,9-tetraen-7-yl]ethanol;fluoromethane is sourced from PubChem (CID 145352011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).