2-[(4-chloronaphthalen-1-yl)oxymethyl]-3,3,3-trifluoropropan-1-amine

C14H13ClF3NO — CID 103366773

IUPAC2-[(4-chloronaphthalen-1-yl)oxymethyl]-3,3,3-trifluoropropan-1-amine
SMILESNCC(COc1ccc(Cl)c2ccccc12)C(F)(F)F
InChIInChI=1S/C14H13ClF3NO/c15-12-5-6-13(11-4-2-1-3-10(11)12)20-8-9(7-19)14(16,17)18/h1-6,9H,7-8,19H2
InChIKeyHJAPFISRMHMFEN-UHFFFAOYSA-N
MW303.71 g/mol
LogP4.01
Rot. Bonds4

About 2-[(4-chloronaphthalen-1-yl)oxymethyl]-3,3,3-trifluoropropan-1-amine

2-[(4-chloronaphthalen-1-yl)oxymethyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 103366773) has the molecular formula C14H13ClF3NO and a molecular weight of 303.71 g/mol. Its IUPAC name is 2-[(4-chloronaphthalen-1-yl)oxymethyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-[(4-chloronaphthalen-1-yl)oxymethyl]-3,3,3-trifluoropropan-1-amine
PubChem CID103366773
Molecular FormulaC14H13ClF3NO
Molecular Weight303.71 g/mol
Exact Mass303.06
IUPAC Name2-[(4-chloronaphthalen-1-yl)oxymethyl]-3,3,3-trifluoropropan-1-amine
SMILESNCC(COc1ccc(Cl)c2ccccc12)C(F)(F)F
InChIInChI=1S/C14H13ClF3NO/c15-12-5-6-13(11-4-2-1-3-10(11)12)20-8-9(7-19)14(16,17)18/h1-6,9H,7-8,19H2
InChIKeyHJAPFISRMHMFEN-UHFFFAOYSA-N
XLogP4.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.71
LogP ≤ 54.01
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)oxymethyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-[(4-chloronaphthalen-1-yl)oxymethyl]-3,3,3-trifluoropropan-1-amine (CID 103366773) is 2-[(4-chloronaphthalen-1-yl)oxymethyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-[(4-chloronaphthalen-1-yl)oxymethyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-[(4-chloronaphthalen-1-yl)oxymethyl]-3,3,3-trifluoropropan-1-amine is NCC(COc1ccc(Cl)c2ccccc12)C(F)(F)F.
What is the InChIKey of 2-[(4-chloronaphthalen-1-yl)oxymethyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is HJAPFISRMHMFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3NO/c15-12-5-6-13(11-4-2-1-3-10(11)12)20-8-9(7-19)14(16,17)18/h1-6,9H,7-8,19H2.
What are the key properties of 2-[(4-chloronaphthalen-1-yl)oxymethyl]-3,3,3-trifluoropropan-1-amine?
2-[(4-chloronaphthalen-1-yl)oxymethyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 303.71 g/mol, XLogP of 4.01, 4 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)oxymethyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 103366773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).