4-(4-amino-2-fluorophenoxy)cyclohexan-1-one

C12H14FNO2 — CID 117096207

IUPAC4-(4-amino-2-fluorophenoxy)cyclohexan-1-one
SMILESNc1ccc(OC2CCC(=O)CC2)c(F)c1
InChIInChI=1S/C12H14FNO2/c13-11-7-8(14)1-6-12(11)16-10-4-2-9(15)3-5-10/h1,6-7,10H,2-5,14H2
InChIKeyDLENDTCVFXMKIC-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.30
Rot. Bonds2

About 4-(4-amino-2-fluorophenoxy)cyclohexan-1-one

4-(4-amino-2-fluorophenoxy)cyclohexan-1-one (PubChem CID 117096207) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 4-(4-amino-2-fluorophenoxy)cyclohexan-1-one.

Molecular Properties

Compound Name4-(4-amino-2-fluorophenoxy)cyclohexan-1-one
PubChem CID117096207
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name4-(4-amino-2-fluorophenoxy)cyclohexan-1-one
SMILESNc1ccc(OC2CCC(=O)CC2)c(F)c1
InChIInChI=1S/C12H14FNO2/c13-11-7-8(14)1-6-12(11)16-10-4-2-9(15)3-5-10/h1,6-7,10H,2-5,14H2
InChIKeyDLENDTCVFXMKIC-UHFFFAOYSA-N
XLogP2.30
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Ethoxyaniline
CID 9076
4,4'-Diaminodiphenyl Ether
CID 7579
4-Hexyloxyaniline
CID 38360
4-Butyloxyaniline
CID 20352
(4-Aminophenoxy)benzene
CID 8764
Benzenamine, 4-propoxy-
CID 78221
Benzenamine, 4-ethoxy-, hydrochloride (1:1)
CID 69478
4-(4-Methoxyphenoxy)aniline
CID 101402
Benzenamine, 4-(pentyloxy)-
CID 94500
Aniline, p-(5-phenoxypentyloxy)-
CID 58556
4,4'-[Ethane-1,2-diylbis(oxy)]dianiline
CID 60361
4-(4-Ethoxyphenoxy)aniline
CID 2433155

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-fluorophenoxy)cyclohexan-1-one?
The IUPAC name of 4-(4-amino-2-fluorophenoxy)cyclohexan-1-one (CID 117096207) is 4-(4-amino-2-fluorophenoxy)cyclohexan-1-one.
What is the SMILES notation for 4-(4-amino-2-fluorophenoxy)cyclohexan-1-one?
The canonical SMILES for 4-(4-amino-2-fluorophenoxy)cyclohexan-1-one is Nc1ccc(OC2CCC(=O)CC2)c(F)c1.
What is the InChIKey of 4-(4-amino-2-fluorophenoxy)cyclohexan-1-one?
The InChIKey is DLENDTCVFXMKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-11-7-8(14)1-6-12(11)16-10-4-2-9(15)3-5-10/h1,6-7,10H,2-5,14H2.
What are the key properties of 4-(4-amino-2-fluorophenoxy)cyclohexan-1-one?
4-(4-amino-2-fluorophenoxy)cyclohexan-1-one has a molecular weight of 223.25 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-fluorophenoxy)cyclohexan-1-one is sourced from PubChem (CID 117096207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).