4-fluoro-5-methoxy-4-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-amine

C12H16F4N2O — CID 103392506

IUPAC4-fluoro-5-methoxy-4-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-amine
SMILESCOCC(F)(CCCN)c1cnccc1C(F)(F)F
InChIInChI=1S/C12H16F4N2O/c1-19-8-11(13,4-2-5-17)10-7-18-6-3-9(10)12(14,15)16/h3,6-7H,2,4-5,8,17H2,1H3
InChIKeyQKUMRPBZDCOFCP-UHFFFAOYSA-N
MW280.26 g/mol
LogP2.65
Rot. Bonds6

About 4-fluoro-5-methoxy-4-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-amine

4-fluoro-5-methoxy-4-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-amine (PubChem CID 103392506) has the molecular formula C12H16F4N2O and a molecular weight of 280.26 g/mol. Its IUPAC name is 4-fluoro-5-methoxy-4-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-amine.

Molecular Properties

Compound Name4-fluoro-5-methoxy-4-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-amine
PubChem CID103392506
Molecular FormulaC12H16F4N2O
Molecular Weight280.26 g/mol
Exact Mass280.12
IUPAC Name4-fluoro-5-methoxy-4-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-amine
SMILESCOCC(F)(CCCN)c1cnccc1C(F)(F)F
InChIInChI=1S/C12H16F4N2O/c1-19-8-11(13,4-2-5-17)10-7-18-6-3-9(10)12(14,15)16/h3,6-7H,2,4-5,8,17H2,1H3
InChIKeyQKUMRPBZDCOFCP-UHFFFAOYSA-N
XLogP2.65
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methoxy-4-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-amine?
The IUPAC name of 4-fluoro-5-methoxy-4-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-amine (CID 103392506) is 4-fluoro-5-methoxy-4-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-amine.
What is the SMILES notation for 4-fluoro-5-methoxy-4-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-amine?
The canonical SMILES for 4-fluoro-5-methoxy-4-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-amine is COCC(F)(CCCN)c1cnccc1C(F)(F)F.
What is the InChIKey of 4-fluoro-5-methoxy-4-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-amine?
The InChIKey is QKUMRPBZDCOFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F4N2O/c1-19-8-11(13,4-2-5-17)10-7-18-6-3-9(10)12(14,15)16/h3,6-7H,2,4-5,8,17H2,1H3.
What are the key properties of 4-fluoro-5-methoxy-4-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-amine?
4-fluoro-5-methoxy-4-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-amine has a molecular weight of 280.26 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methoxy-4-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-amine is sourced from PubChem (CID 103392506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).