4-(3,5-difluoroanilino)cyclohexan-1-ol

C12H15F2NO — CID 54523387

IUPAC4-(3,5-difluoroanilino)cyclohexan-1-ol
SMILESOC1CCC(Nc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C12H15F2NO/c13-8-5-9(14)7-11(6-8)15-10-1-3-12(16)4-2-10/h5-7,10,12,15-16H,1-4H2
InChIKeyWXNIOFAAWCQWQX-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.68
Rot. Bonds2

About 4-(3,5-difluoroanilino)cyclohexan-1-ol

4-(3,5-difluoroanilino)cyclohexan-1-ol (PubChem CID 54523387) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 4-(3,5-difluoroanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(3,5-difluoroanilino)cyclohexan-1-ol
PubChem CID54523387
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name4-(3,5-difluoroanilino)cyclohexan-1-ol
SMILESOC1CCC(Nc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C12H15F2NO/c13-8-5-9(14)7-11(6-8)15-10-1-3-12(16)4-2-10/h5-7,10,12,15-16H,1-4H2
InChIKeyWXNIOFAAWCQWQX-UHFFFAOYSA-N
XLogP2.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluoroanilino)cyclohexan-1-ol?
The IUPAC name of 4-(3,5-difluoroanilino)cyclohexan-1-ol (CID 54523387) is 4-(3,5-difluoroanilino)cyclohexan-1-ol.
What is the SMILES notation for 4-(3,5-difluoroanilino)cyclohexan-1-ol?
The canonical SMILES for 4-(3,5-difluoroanilino)cyclohexan-1-ol is OC1CCC(Nc2cc(F)cc(F)c2)CC1.
What is the InChIKey of 4-(3,5-difluoroanilino)cyclohexan-1-ol?
The InChIKey is WXNIOFAAWCQWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-8-5-9(14)7-11(6-8)15-10-1-3-12(16)4-2-10/h5-7,10,12,15-16H,1-4H2.
What are the key properties of 4-(3,5-difluoroanilino)cyclohexan-1-ol?
4-(3,5-difluoroanilino)cyclohexan-1-ol has a molecular weight of 227.25 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluoroanilino)cyclohexan-1-ol is sourced from PubChem (CID 54523387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).