2-(4-chloronaphthalen-1-yl)oxy-3,3,3-trifluoropropan-1-amine

C13H11ClF3NO — CID 43804619

IUPAC2-(4-chloronaphthalen-1-yl)oxy-3,3,3-trifluoropropan-1-amine
SMILESNCC(Oc1ccc(Cl)c2ccccc12)C(F)(F)F
InChIInChI=1S/C13H11ClF3NO/c14-10-5-6-11(9-4-2-1-3-8(9)10)19-12(7-18)13(15,16)17/h1-6,12H,7,18H2
InChIKeyRSJIZGPVPPWMQS-UHFFFAOYSA-N
MW289.68 g/mol
LogP3.76
Rot. Bonds3

About 2-(4-chloronaphthalen-1-yl)oxy-3,3,3-trifluoropropan-1-amine

2-(4-chloronaphthalen-1-yl)oxy-3,3,3-trifluoropropan-1-amine (PubChem CID 43804619) has the molecular formula C13H11ClF3NO and a molecular weight of 289.68 g/mol. Its IUPAC name is 2-(4-chloronaphthalen-1-yl)oxy-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(4-chloronaphthalen-1-yl)oxy-3,3,3-trifluoropropan-1-amine
PubChem CID43804619
Molecular FormulaC13H11ClF3NO
Molecular Weight289.68 g/mol
Exact Mass289.05
IUPAC Name2-(4-chloronaphthalen-1-yl)oxy-3,3,3-trifluoropropan-1-amine
SMILESNCC(Oc1ccc(Cl)c2ccccc12)C(F)(F)F
InChIInChI=1S/C13H11ClF3NO/c14-10-5-6-11(9-4-2-1-3-8(9)10)19-12(7-18)13(15,16)17/h1-6,12H,7,18H2
InChIKeyRSJIZGPVPPWMQS-UHFFFAOYSA-N
XLogP3.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.68
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloronaphthalen-1-yl)oxy-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(4-chloronaphthalen-1-yl)oxy-3,3,3-trifluoropropan-1-amine (CID 43804619) is 2-(4-chloronaphthalen-1-yl)oxy-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(4-chloronaphthalen-1-yl)oxy-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(4-chloronaphthalen-1-yl)oxy-3,3,3-trifluoropropan-1-amine is NCC(Oc1ccc(Cl)c2ccccc12)C(F)(F)F.
What is the InChIKey of 2-(4-chloronaphthalen-1-yl)oxy-3,3,3-trifluoropropan-1-amine?
The InChIKey is RSJIZGPVPPWMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3NO/c14-10-5-6-11(9-4-2-1-3-8(9)10)19-12(7-18)13(15,16)17/h1-6,12H,7,18H2.
What are the key properties of 2-(4-chloronaphthalen-1-yl)oxy-3,3,3-trifluoropropan-1-amine?
2-(4-chloronaphthalen-1-yl)oxy-3,3,3-trifluoropropan-1-amine has a molecular weight of 289.68 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloronaphthalen-1-yl)oxy-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 43804619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).