1-[3-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol

C11H14F3NO — CID 84736382

IUPAC1-[3-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol
SMILESNCCCc1cccc(C(O)C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO/c12-11(13,14)10(16)9-5-1-3-8(7-9)4-2-6-15/h1,3,5,7,10,16H,2,4,6,15H2
InChIKeyRZIRRKIIDCYTBL-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.17
Rot. Bonds4

About 1-[3-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol

1-[3-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol (PubChem CID 84736382) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-[3-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-[3-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol
PubChem CID84736382
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name1-[3-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol
SMILESNCCCc1cccc(C(O)C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO/c12-11(13,14)10(16)9-5-1-3-8(7-9)4-2-6-15/h1,3,5,7,10,16H,2,4,6,15H2
InChIKeyRZIRRKIIDCYTBL-UHFFFAOYSA-N
XLogP2.17
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol?
The IUPAC name of 1-[3-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol (CID 84736382) is 1-[3-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-[3-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol?
The canonical SMILES for 1-[3-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol is NCCCc1cccc(C(O)C(F)(F)F)c1.
What is the InChIKey of 1-[3-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol?
The InChIKey is RZIRRKIIDCYTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c12-11(13,14)10(16)9-5-1-3-8(7-9)4-2-6-15/h1,3,5,7,10,16H,2,4,6,15H2.
What are the key properties of 1-[3-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol?
1-[3-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol has a molecular weight of 233.23 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol is sourced from PubChem (CID 84736382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).