1-cyclohexyl-4-fluorobenzene;3-[ethyl(methyl)amino]cyclopent-2-en-1-one;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene

C29H33F7N2O2 — CID 143439097

IUPAC1-cyclohexyl-4-fluorobenzene;3-[ethyl(methyl)amino]cyclopent-2-en-1-one;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene
SMILESCCN(C)C1=CC(=O)CC1.Fc1ccc(C2CCCCC2)cc1.O=NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H15F.C9H5F6NO.C8H13NO/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;10-8(11,12)6-1-5(4-16-17)2-7(3-6)9(13,14)15;1-3-9(2)7-4-5-8(10)6-7/h6-10H,1-5H2;1-3H,4H2;6H,3-5H2,1-2H3
InChIKeyUBMKLWZDDZBRSF-UHFFFAOYSA-N
MW574.58 g/mol
LogP9.05
Rot. Bonds5

About 1-cyclohexyl-4-fluorobenzene;3-[ethyl(methyl)amino]cyclopent-2-en-1-one;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene

1-cyclohexyl-4-fluorobenzene;3-[ethyl(methyl)amino]cyclopent-2-en-1-one;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene (PubChem CID 143439097) has the molecular formula C29H33F7N2O2 and a molecular weight of 574.58 g/mol. Its IUPAC name is 1-cyclohexyl-4-fluorobenzene;3-[ethyl(methyl)amino]cyclopent-2-en-1-one;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-cyclohexyl-4-fluorobenzene;3-[ethyl(methyl)amino]cyclopent-2-en-1-one;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene
PubChem CID143439097
Molecular FormulaC29H33F7N2O2
Molecular Weight574.58 g/mol
Exact Mass574.24
IUPAC Name1-cyclohexyl-4-fluorobenzene;3-[ethyl(methyl)amino]cyclopent-2-en-1-one;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene
SMILESCCN(C)C1=CC(=O)CC1.Fc1ccc(C2CCCCC2)cc1.O=NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H15F.C9H5F6NO.C8H13NO/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;10-8(11,12)6-1-5(4-16-17)2-7(3-6)9(13,14)15;1-3-9(2)7-4-5-8(10)6-7/h6-10H,1-5H2;1-3H,4H2;6H,3-5H2,1-2H3
InChIKeyUBMKLWZDDZBRSF-UHFFFAOYSA-N
XLogP9.05
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.58
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-cyclohexyl-4-fluorobenzene;3-[ethyl(methyl)amino]cyclopent-2-en-1-one;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene 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-4-fluorobenzene;3-[ethyl(methyl)amino]cyclopent-2-en-1-one;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene?
The IUPAC name of 1-cyclohexyl-4-fluorobenzene;3-[ethyl(methyl)amino]cyclopent-2-en-1-one;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene (CID 143439097) is 1-cyclohexyl-4-fluorobenzene;3-[ethyl(methyl)amino]cyclopent-2-en-1-one;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-cyclohexyl-4-fluorobenzene;3-[ethyl(methyl)amino]cyclopent-2-en-1-one;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-cyclohexyl-4-fluorobenzene;3-[ethyl(methyl)amino]cyclopent-2-en-1-one;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene is CCN(C)C1=CC(=O)CC1.Fc1ccc(C2CCCCC2)cc1.O=NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-cyclohexyl-4-fluorobenzene;3-[ethyl(methyl)amino]cyclopent-2-en-1-one;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene?
The InChIKey is UBMKLWZDDZBRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F.C9H5F6NO.C8H13NO/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;10-8(11,12)6-1-5(4-16-17)2-7(3-6)9(13,14)15;1-3-9(2)7-4-5-8(10)6-7/h6-10H,1-5H2;1-3H,4H2;6H,3-5H2,1-2H3.
What are the key properties of 1-cyclohexyl-4-fluorobenzene;3-[ethyl(methyl)amino]cyclopent-2-en-1-one;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene?
1-cyclohexyl-4-fluorobenzene;3-[ethyl(methyl)amino]cyclopent-2-en-1-one;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene has a molecular weight of 574.58 g/mol, XLogP of 9.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-fluorobenzene;3-[ethyl(methyl)amino]cyclopent-2-en-1-one;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene is sourced from PubChem (CID 143439097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).