ethyl 3-(2-fluoroanilino)cyclohexane-1-carboxylate

C15H20FNO2 — CID 68598367

IUPACethyl 3-(2-fluoroanilino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCC(Nc2ccccc2F)C1
InChIInChI=1S/C15H20FNO2/c1-2-19-15(18)11-6-5-7-12(10-11)17-14-9-4-3-8-13(14)16/h3-4,8-9,11-12,17H,2,5-7,10H2,1H3
InChIKeyQQGNXQPQGHSFOM-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.36
Rot. Bonds4

About ethyl 3-(2-fluoroanilino)cyclohexane-1-carboxylate

ethyl 3-(2-fluoroanilino)cyclohexane-1-carboxylate (PubChem CID 68598367) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is ethyl 3-(2-fluoroanilino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-fluoroanilino)cyclohexane-1-carboxylate
PubChem CID68598367
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Nameethyl 3-(2-fluoroanilino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCC(Nc2ccccc2F)C1
InChIInChI=1S/C15H20FNO2/c1-2-19-15(18)11-6-5-7-12(10-11)17-14-9-4-3-8-13(14)16/h3-4,8-9,11-12,17H,2,5-7,10H2,1H3
InChIKeyQQGNXQPQGHSFOM-UHFFFAOYSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[(6-fluoro-2-pyridinyl)amino]cyclohexane-1-carboxylate
CID 116813100
1,2-difluorobenzene;ethyl cyclopropanecarboxylate
CID 145194547
ethyl 3-(3-chloro-5-fluoroanilino)cyclohexane-1-carboxylate
CID 107363795
1-N-(2-fluorophenyl)cyclohexane-1,3-diamine
CID 79458440
trans-ethyl (1S,2S)-2-[(2-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate
CID 178138593
N-(3-cyclopropylcyclohexyl)-2-fluoroaniline
CID 64595816
cis-methyl (1R,3S)-3-(2-propan-2-ylanilino)cyclohexane-1-carboxylate
CID 167456642
1-O-ethyl 3-O-methyl cyclohexane-1,3-dicarboxylate
CID 66983859
ethyl 3-[[2-(oxolan-3-yloxy)anilino]methyl]cyclohexane-1-carboxylate
CID 102563421
ethyl (3R)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-carboxylate
CID 6939614
ethyl 2-amino-3-[(3-methylcyclohexyl)amino]benzoate
CID 115544799
ethyl 3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexane-1-carboxylate
CID 104881605

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-fluoroanilino)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 3-(2-fluoroanilino)cyclohexane-1-carboxylate (CID 68598367) is ethyl 3-(2-fluoroanilino)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 3-(2-fluoroanilino)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 3-(2-fluoroanilino)cyclohexane-1-carboxylate is CCOC(=O)C1CCCC(Nc2ccccc2F)C1.
What is the InChIKey of ethyl 3-(2-fluoroanilino)cyclohexane-1-carboxylate?
The InChIKey is QQGNXQPQGHSFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-2-19-15(18)11-6-5-7-12(10-11)17-14-9-4-3-8-13(14)16/h3-4,8-9,11-12,17H,2,5-7,10H2,1H3.
What are the key properties of ethyl 3-(2-fluoroanilino)cyclohexane-1-carboxylate?
ethyl 3-(2-fluoroanilino)cyclohexane-1-carboxylate has a molecular weight of 265.33 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-fluoroanilino)cyclohexane-1-carboxylate is sourced from PubChem (CID 68598367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).