1-[(3,5-difluoroanilino)methyl]cyclohexan-1-ol

C13H17F2NO — CID 60900892

IUPAC1-[(3,5-difluoroanilino)methyl]cyclohexan-1-ol
SMILESOC1(CNc2cc(F)cc(F)c2)CCCCC1
InChIInChI=1S/C13H17F2NO/c14-10-6-11(15)8-12(7-10)16-9-13(17)4-2-1-3-5-13/h6-8,16-17H,1-5,9H2
InChIKeyCYJGHTDLONZSML-UHFFFAOYSA-N
MW241.28 g/mol
LogP3.07
Rot. Bonds3

About 1-[(3,5-difluoroanilino)methyl]cyclohexan-1-ol

1-[(3,5-difluoroanilino)methyl]cyclohexan-1-ol (PubChem CID 60900892) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 1-[(3,5-difluoroanilino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3,5-difluoroanilino)methyl]cyclohexan-1-ol
PubChem CID60900892
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name1-[(3,5-difluoroanilino)methyl]cyclohexan-1-ol
SMILESOC1(CNc2cc(F)cc(F)c2)CCCCC1
InChIInChI=1S/C13H17F2NO/c14-10-6-11(15)8-12(7-10)16-9-13(17)4-2-1-3-5-13/h6-8,16-17H,1-5,9H2
InChIKeyCYJGHTDLONZSML-UHFFFAOYSA-N
XLogP3.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3,5-difluoroanilino)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499058
1-[(3,5-dimethoxyanilino)methyl]cycloheptan-1-ol
CID 60896943
1-[[3-bromo-5-(trifluoromethyl)anilino]methyl]cycloheptan-1-ol
CID 65490239
1-[[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]methyl]cyclohexan-1-ol
CID 60896395
1-[(2-bromo-4,6-difluoroanilino)methyl]cyclopentan-1-ol
CID 65211096
1-[(4-fluoro-3-methylanilino)methyl]cyclopentan-1-ol
CID 65210645
1-[(4-bromo-2,6-difluoroanilino)methyl]cycloheptan-1-ol
CID 65469763
1-[(4-methylsulfanylanilino)methyl]cyclohexan-1-ol
CID 60899212
1-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol
CID 65110379
3-[(4-fluoroanilino)methyl]piperidin-3-ol
CID 105482018
1-[[(6-fluoropyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 115417098
1-[(3-methylsulfanylanilino)methyl]cyclopentan-1-ol
CID 65210779

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluoroanilino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(3,5-difluoroanilino)methyl]cyclohexan-1-ol (CID 60900892) is 1-[(3,5-difluoroanilino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(3,5-difluoroanilino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(3,5-difluoroanilino)methyl]cyclohexan-1-ol is OC1(CNc2cc(F)cc(F)c2)CCCCC1.
What is the InChIKey of 1-[(3,5-difluoroanilino)methyl]cyclohexan-1-ol?
The InChIKey is CYJGHTDLONZSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c14-10-6-11(15)8-12(7-10)16-9-13(17)4-2-1-3-5-13/h6-8,16-17H,1-5,9H2.
What are the key properties of 1-[(3,5-difluoroanilino)methyl]cyclohexan-1-ol?
1-[(3,5-difluoroanilino)methyl]cyclohexan-1-ol has a molecular weight of 241.28 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluoroanilino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 60900892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).