2-[1-(3-chloro-4-fluoroanilino)ethyl]cyclohexan-1-ol

C14H19ClFNO — CID 123608375

IUPAC2-[1-(3-chloro-4-fluoroanilino)ethyl]cyclohexan-1-ol
SMILESCC(Nc1ccc(F)c(Cl)c1)C1CCCCC1O
InChIInChI=1S/C14H19ClFNO/c1-9(11-4-2-3-5-14(11)18)17-10-6-7-13(16)12(15)8-10/h6-9,11,14,17-18H,2-5H2,1H3
InChIKeyADHQDSJLVVNGFK-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.83
Rot. Bonds3

About 2-[1-(3-chloro-4-fluoroanilino)ethyl]cyclohexan-1-ol

2-[1-(3-chloro-4-fluoroanilino)ethyl]cyclohexan-1-ol (PubChem CID 123608375) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-fluoroanilino)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-(3-chloro-4-fluoroanilino)ethyl]cyclohexan-1-ol
PubChem CID123608375
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name2-[1-(3-chloro-4-fluoroanilino)ethyl]cyclohexan-1-ol
SMILESCC(Nc1ccc(F)c(Cl)c1)C1CCCCC1O
InChIInChI=1S/C14H19ClFNO/c1-9(11-4-2-3-5-14(11)18)17-10-6-7-13(16)12(15)8-10/h6-9,11,14,17-18H,2-5H2,1H3
InChIKeyADHQDSJLVVNGFK-UHFFFAOYSA-N
XLogP3.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-fluoroanilino)ethyl]cyclohexan-1-ol?
The IUPAC name of 2-[1-(3-chloro-4-fluoroanilino)ethyl]cyclohexan-1-ol (CID 123608375) is 2-[1-(3-chloro-4-fluoroanilino)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-(3-chloro-4-fluoroanilino)ethyl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-(3-chloro-4-fluoroanilino)ethyl]cyclohexan-1-ol is CC(Nc1ccc(F)c(Cl)c1)C1CCCCC1O.
What is the InChIKey of 2-[1-(3-chloro-4-fluoroanilino)ethyl]cyclohexan-1-ol?
The InChIKey is ADHQDSJLVVNGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-9(11-4-2-3-5-14(11)18)17-10-6-7-13(16)12(15)8-10/h6-9,11,14,17-18H,2-5H2,1H3.
What are the key properties of 2-[1-(3-chloro-4-fluoroanilino)ethyl]cyclohexan-1-ol?
2-[1-(3-chloro-4-fluoroanilino)ethyl]cyclohexan-1-ol has a molecular weight of 271.76 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-fluoroanilino)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 123608375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).