2-fluoro-3-methoxy-N-methyl-5-(trifluoromethyl)cyclohexan-1-amine

C9H15F4NO — CID 123845300

IUPAC2-fluoro-3-methoxy-N-methyl-5-(trifluoromethyl)cyclohexan-1-amine
SMILESCNC1CC(C(F)(F)F)CC(OC)C1F
InChIInChI=1S/C9H15F4NO/c1-14-6-3-5(9(11,12)13)4-7(15-2)8(6)10/h5-8,14H,3-4H2,1-2H3
InChIKeyGIJCBURRKUHWNT-UHFFFAOYSA-N
MW229.22 g/mol
LogP1.90
Rot. Bonds2

About 2-fluoro-3-methoxy-N-methyl-5-(trifluoromethyl)cyclohexan-1-amine

2-fluoro-3-methoxy-N-methyl-5-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 123845300) has the molecular formula C9H15F4NO and a molecular weight of 229.22 g/mol. Its IUPAC name is 2-fluoro-3-methoxy-N-methyl-5-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-methoxy-N-methyl-5-(trifluoromethyl)cyclohexan-1-amine
PubChem CID123845300
Molecular FormulaC9H15F4NO
Molecular Weight229.22 g/mol
Exact Mass229.11
IUPAC Name2-fluoro-3-methoxy-N-methyl-5-(trifluoromethyl)cyclohexan-1-amine
SMILESCNC1CC(C(F)(F)F)CC(OC)C1F
InChIInChI=1S/C9H15F4NO/c1-14-6-3-5(9(11,12)13)4-7(15-2)8(6)10/h5-8,14H,3-4H2,1-2H3
InChIKeyGIJCBURRKUHWNT-UHFFFAOYSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methoxy-N-methyl-5-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 2-fluoro-3-methoxy-N-methyl-5-(trifluoromethyl)cyclohexan-1-amine (CID 123845300) is 2-fluoro-3-methoxy-N-methyl-5-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-fluoro-3-methoxy-N-methyl-5-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 2-fluoro-3-methoxy-N-methyl-5-(trifluoromethyl)cyclohexan-1-amine is CNC1CC(C(F)(F)F)CC(OC)C1F.
What is the InChIKey of 2-fluoro-3-methoxy-N-methyl-5-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is GIJCBURRKUHWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F4NO/c1-14-6-3-5(9(11,12)13)4-7(15-2)8(6)10/h5-8,14H,3-4H2,1-2H3.
What are the key properties of 2-fluoro-3-methoxy-N-methyl-5-(trifluoromethyl)cyclohexan-1-amine?
2-fluoro-3-methoxy-N-methyl-5-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 229.22 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methoxy-N-methyl-5-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 123845300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).