2-cyclohexa-1,5-dien-1-yl-2-(2-fluoroethylamino)cyclohexan-1-one

C14H20FNO — CID 156803318

IUPAC2-cyclohexa-1,5-dien-1-yl-2-(2-fluoroethylamino)cyclohexan-1-one
SMILESO=C1CCCCC1(NCCF)C1=CCCC=C1
InChIInChI=1S/C14H20FNO/c15-10-11-16-14(9-5-4-8-13(14)17)12-6-2-1-3-7-12/h2,6-7,16H,1,3-5,8-11H2
InChIKeyDRBDAWMLDXXUAG-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.70
Rot. Bonds4

About 2-cyclohexa-1,5-dien-1-yl-2-(2-fluoroethylamino)cyclohexan-1-one

2-cyclohexa-1,5-dien-1-yl-2-(2-fluoroethylamino)cyclohexan-1-one (PubChem CID 156803318) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-2-(2-fluoroethylamino)cyclohexan-1-one.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-2-(2-fluoroethylamino)cyclohexan-1-one
PubChem CID156803318
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-cyclohexa-1,5-dien-1-yl-2-(2-fluoroethylamino)cyclohexan-1-one
SMILESO=C1CCCCC1(NCCF)C1=CCCC=C1
InChIInChI=1S/C14H20FNO/c15-10-11-16-14(9-5-4-8-13(14)17)12-6-2-1-3-7-12/h2,6-7,16H,1,3-5,8-11H2
InChIKeyDRBDAWMLDXXUAG-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-2-(2-fluoroethylamino)cyclohexan-1-one?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-2-(2-fluoroethylamino)cyclohexan-1-one (CID 156803318) is 2-cyclohexa-1,5-dien-1-yl-2-(2-fluoroethylamino)cyclohexan-1-one.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-2-(2-fluoroethylamino)cyclohexan-1-one?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-2-(2-fluoroethylamino)cyclohexan-1-one is O=C1CCCCC1(NCCF)C1=CCCC=C1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-2-(2-fluoroethylamino)cyclohexan-1-one?
The InChIKey is DRBDAWMLDXXUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c15-10-11-16-14(9-5-4-8-13(14)17)12-6-2-1-3-7-12/h2,6-7,16H,1,3-5,8-11H2.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-2-(2-fluoroethylamino)cyclohexan-1-one?
2-cyclohexa-1,5-dien-1-yl-2-(2-fluoroethylamino)cyclohexan-1-one has a molecular weight of 237.32 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-2-(2-fluoroethylamino)cyclohexan-1-one is sourced from PubChem (CID 156803318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).