3-amino-1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-ol

C13H15F4NO — CID 107287648

IUPAC3-amino-1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESNC1CCCC(O)(c2ccc(C(F)(F)F)c(F)c2)C1
InChIInChI=1S/C13H15F4NO/c14-11-6-8(3-4-10(11)13(15,16)17)12(19)5-1-2-9(18)7-12/h3-4,6,9,19H,1-2,5,7,18H2
InChIKeyRHMGJHSBWNUZOT-UHFFFAOYSA-N
MW277.26 g/mol
LogP2.93
Rot. Bonds1

About 3-amino-1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-ol

3-amino-1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-ol (PubChem CID 107287648) has the molecular formula C13H15F4NO and a molecular weight of 277.26 g/mol. Its IUPAC name is 3-amino-1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-amino-1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-ol
PubChem CID107287648
Molecular FormulaC13H15F4NO
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC Name3-amino-1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESNC1CCCC(O)(c2ccc(C(F)(F)F)c(F)c2)C1
InChIInChI=1S/C13H15F4NO/c14-11-6-8(3-4-10(11)13(15,16)17)12(19)5-1-2-9(18)7-12/h3-4,6,9,19H,1-2,5,7,18H2
InChIKeyRHMGJHSBWNUZOT-UHFFFAOYSA-N
XLogP2.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 52.93
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-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The IUPAC name of 3-amino-1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-ol (CID 107287648) is 3-amino-1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-ol.
What is the SMILES notation for 3-amino-1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The canonical SMILES for 3-amino-1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-ol is NC1CCCC(O)(c2ccc(C(F)(F)F)c(F)c2)C1.
What is the InChIKey of 3-amino-1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The InChIKey is RHMGJHSBWNUZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO/c14-11-6-8(3-4-10(11)13(15,16)17)12(19)5-1-2-9(18)7-12/h3-4,6,9,19H,1-2,5,7,18H2.
What are the key properties of 3-amino-1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-ol?
3-amino-1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-ol has a molecular weight of 277.26 g/mol, XLogP of 2.93, 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-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 107287648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).