2-[2-fluoro-4-(trifluoromethyl)phenoxy]-N-methylcyclohexan-1-amine

C14H17F4NO — CID 107304027

IUPAC2-[2-fluoro-4-(trifluoromethyl)phenoxy]-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1Oc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C14H17F4NO/c1-19-11-4-2-3-5-13(11)20-12-7-6-9(8-10(12)15)14(16,17)18/h6-8,11,13,19H,2-5H2,1H3
InChIKeyPWBUCWTUZKTFBE-UHFFFAOYSA-N
MW291.29 g/mol
LogP3.75
Rot. Bonds3

About 2-[2-fluoro-4-(trifluoromethyl)phenoxy]-N-methylcyclohexan-1-amine

2-[2-fluoro-4-(trifluoromethyl)phenoxy]-N-methylcyclohexan-1-amine (PubChem CID 107304027) has the molecular formula C14H17F4NO and a molecular weight of 291.29 g/mol. Its IUPAC name is 2-[2-fluoro-4-(trifluoromethyl)phenoxy]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[2-fluoro-4-(trifluoromethyl)phenoxy]-N-methylcyclohexan-1-amine
PubChem CID107304027
Molecular FormulaC14H17F4NO
Molecular Weight291.29 g/mol
Exact Mass291.12
IUPAC Name2-[2-fluoro-4-(trifluoromethyl)phenoxy]-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1Oc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C14H17F4NO/c1-19-11-4-2-3-5-13(11)20-12-7-6-9(8-10(12)15)14(16,17)18/h6-8,11,13,19H,2-5H2,1H3
InChIKeyPWBUCWTUZKTFBE-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(trifluoromethyl)phenoxy]-N-methylcyclohexan-1-amine?
The IUPAC name of 2-[2-fluoro-4-(trifluoromethyl)phenoxy]-N-methylcyclohexan-1-amine (CID 107304027) is 2-[2-fluoro-4-(trifluoromethyl)phenoxy]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[2-fluoro-4-(trifluoromethyl)phenoxy]-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-[2-fluoro-4-(trifluoromethyl)phenoxy]-N-methylcyclohexan-1-amine is CNC1CCCCC1Oc1ccc(C(F)(F)F)cc1F.
What is the InChIKey of 2-[2-fluoro-4-(trifluoromethyl)phenoxy]-N-methylcyclohexan-1-amine?
The InChIKey is PWBUCWTUZKTFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4NO/c1-19-11-4-2-3-5-13(11)20-12-7-6-9(8-10(12)15)14(16,17)18/h6-8,11,13,19H,2-5H2,1H3.
What are the key properties of 2-[2-fluoro-4-(trifluoromethyl)phenoxy]-N-methylcyclohexan-1-amine?
2-[2-fluoro-4-(trifluoromethyl)phenoxy]-N-methylcyclohexan-1-amine has a molecular weight of 291.29 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(trifluoromethyl)phenoxy]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 107304027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).