3-amino-1-(3,5-difluorophenyl)cyclohexan-1-ol

C12H15F2NO — CID 80562436

IUPAC3-amino-1-(3,5-difluorophenyl)cyclohexan-1-ol
SMILESNC1CCCC(O)(c2cc(F)cc(F)c2)C1
InChIInChI=1S/C12H15F2NO/c13-9-4-8(5-10(14)6-9)12(16)3-1-2-11(15)7-12/h4-6,11,16H,1-3,7,15H2
InChIKeyUBYOTJOZXFAOMD-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.05
Rot. Bonds1

About 3-amino-1-(3,5-difluorophenyl)cyclohexan-1-ol

3-amino-1-(3,5-difluorophenyl)cyclohexan-1-ol (PubChem CID 80562436) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 3-amino-1-(3,5-difluorophenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3,5-difluorophenyl)cyclohexan-1-ol
PubChem CID80562436
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name3-amino-1-(3,5-difluorophenyl)cyclohexan-1-ol
SMILESNC1CCCC(O)(c2cc(F)cc(F)c2)C1
InChIInChI=1S/C12H15F2NO/c13-9-4-8(5-10(14)6-9)12(16)3-1-2-11(15)7-12/h4-6,11,16H,1-3,7,15H2
InChIKeyUBYOTJOZXFAOMD-UHFFFAOYSA-N
XLogP2.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,5-difluorophenyl)cyclohexan-1-ol?
The IUPAC name of 3-amino-1-(3,5-difluorophenyl)cyclohexan-1-ol (CID 80562436) is 3-amino-1-(3,5-difluorophenyl)cyclohexan-1-ol.
What is the SMILES notation for 3-amino-1-(3,5-difluorophenyl)cyclohexan-1-ol?
The canonical SMILES for 3-amino-1-(3,5-difluorophenyl)cyclohexan-1-ol is NC1CCCC(O)(c2cc(F)cc(F)c2)C1.
What is the InChIKey of 3-amino-1-(3,5-difluorophenyl)cyclohexan-1-ol?
The InChIKey is UBYOTJOZXFAOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-9-4-8(5-10(14)6-9)12(16)3-1-2-11(15)7-12/h4-6,11,16H,1-3,7,15H2.
What are the key properties of 3-amino-1-(3,5-difluorophenyl)cyclohexan-1-ol?
3-amino-1-(3,5-difluorophenyl)cyclohexan-1-ol has a molecular weight of 227.25 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,5-difluorophenyl)cyclohexan-1-ol is sourced from PubChem (CID 80562436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).