4-(3,5-dichloro-4-fluoroanilino)cyclohexan-1-ol

C12H14Cl2FNO — CID 107572751

IUPAC4-(3,5-dichloro-4-fluoroanilino)cyclohexan-1-ol
SMILESOC1CCC(Nc2cc(Cl)c(F)c(Cl)c2)CC1
InChIInChI=1S/C12H14Cl2FNO/c13-10-5-8(6-11(14)12(10)15)16-7-1-3-9(17)4-2-7/h5-7,9,16-17H,1-4H2
InChIKeyXUQOPDWTTCQLHA-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.85
Rot. Bonds2

About 4-(3,5-dichloro-4-fluoroanilino)cyclohexan-1-ol

4-(3,5-dichloro-4-fluoroanilino)cyclohexan-1-ol (PubChem CID 107572751) has the molecular formula C12H14Cl2FNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 4-(3,5-dichloro-4-fluoroanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(3,5-dichloro-4-fluoroanilino)cyclohexan-1-ol
PubChem CID107572751
Molecular FormulaC12H14Cl2FNO
Molecular Weight278.15 g/mol
Exact Mass277.04
IUPAC Name4-(3,5-dichloro-4-fluoroanilino)cyclohexan-1-ol
SMILESOC1CCC(Nc2cc(Cl)c(F)c(Cl)c2)CC1
InChIInChI=1S/C12H14Cl2FNO/c13-10-5-8(6-11(14)12(10)15)16-7-1-3-9(17)4-2-7/h5-7,9,16-17H,1-4H2
InChIKeyXUQOPDWTTCQLHA-UHFFFAOYSA-N
XLogP3.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-4-fluoro-N-(4-methylcyclohexyl)aniline
CID 107572849
4-(3,5-dichloroanilino)cyclohexan-1-ol
CID 54546506
N-(3,5-dichloro-4-fluorophenyl)-4-methylcycloheptan-1-amine
CID 107572556
4-[(2,6-dichloro-4-pyridinyl)amino]cyclohexan-1-ol
CID 87174143
N-(3,5-dichloro-4-fluorophenyl)azepan-4-amine
CID 107572825
4-(3-chloro-2-fluoroanilino)cyclohexan-1-ol
CID 106593601
N-(3,5-dichloro-4-fluorophenyl)-1-propylpiperidin-4-amine
CID 107572762
N-(3,5-dichloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107572538
2,6-dichloro-4-(cyclobutylamino)phenol
CID 107679292
4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]cyclohexan-1-ol
CID 102762405
4-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol
CID 103721709
N-[2-chloro-4-[(4-hydroxycyclohexyl)amino]phenyl]methanesulfonamide
CID 106594192

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichloro-4-fluoroanilino)cyclohexan-1-ol?
The IUPAC name of 4-(3,5-dichloro-4-fluoroanilino)cyclohexan-1-ol (CID 107572751) is 4-(3,5-dichloro-4-fluoroanilino)cyclohexan-1-ol.
What is the SMILES notation for 4-(3,5-dichloro-4-fluoroanilino)cyclohexan-1-ol?
The canonical SMILES for 4-(3,5-dichloro-4-fluoroanilino)cyclohexan-1-ol is OC1CCC(Nc2cc(Cl)c(F)c(Cl)c2)CC1.
What is the InChIKey of 4-(3,5-dichloro-4-fluoroanilino)cyclohexan-1-ol?
The InChIKey is XUQOPDWTTCQLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2FNO/c13-10-5-8(6-11(14)12(10)15)16-7-1-3-9(17)4-2-7/h5-7,9,16-17H,1-4H2.
What are the key properties of 4-(3,5-dichloro-4-fluoroanilino)cyclohexan-1-ol?
4-(3,5-dichloro-4-fluoroanilino)cyclohexan-1-ol has a molecular weight of 278.15 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichloro-4-fluoroanilino)cyclohexan-1-ol is sourced from PubChem (CID 107572751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).