4-[1-(aminomethyl)cyclopropyl]-2-(trifluoromethyl)phenol

C11H12F3NO — CID 117333712

IUPAC4-[1-(aminomethyl)cyclopropyl]-2-(trifluoromethyl)phenol
SMILESNCC1(c2ccc(O)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C11H12F3NO/c12-11(13,14)8-5-7(1-2-9(8)16)10(6-15)3-4-10/h1-2,5,16H,3-4,6,15H2
InChIKeyCHAKDRKWJASQDT-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.40
Rot. Bonds2

About 4-[1-(aminomethyl)cyclopropyl]-2-(trifluoromethyl)phenol

4-[1-(aminomethyl)cyclopropyl]-2-(trifluoromethyl)phenol (PubChem CID 117333712) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 4-[1-(aminomethyl)cyclopropyl]-2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-[1-(aminomethyl)cyclopropyl]-2-(trifluoromethyl)phenol
PubChem CID117333712
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name4-[1-(aminomethyl)cyclopropyl]-2-(trifluoromethyl)phenol
SMILESNCC1(c2ccc(O)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C11H12F3NO/c12-11(13,14)8-5-7(1-2-9(8)16)10(6-15)3-4-10/h1-2,5,16H,3-4,6,15H2
InChIKeyCHAKDRKWJASQDT-UHFFFAOYSA-N
XLogP2.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)cyclopropyl]-2-(trifluoromethyl)phenol?
The IUPAC name of 4-[1-(aminomethyl)cyclopropyl]-2-(trifluoromethyl)phenol (CID 117333712) is 4-[1-(aminomethyl)cyclopropyl]-2-(trifluoromethyl)phenol.
What is the SMILES notation for 4-[1-(aminomethyl)cyclopropyl]-2-(trifluoromethyl)phenol?
The canonical SMILES for 4-[1-(aminomethyl)cyclopropyl]-2-(trifluoromethyl)phenol is NCC1(c2ccc(O)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-[1-(aminomethyl)cyclopropyl]-2-(trifluoromethyl)phenol?
The InChIKey is CHAKDRKWJASQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c12-11(13,14)8-5-7(1-2-9(8)16)10(6-15)3-4-10/h1-2,5,16H,3-4,6,15H2.
What are the key properties of 4-[1-(aminomethyl)cyclopropyl]-2-(trifluoromethyl)phenol?
4-[1-(aminomethyl)cyclopropyl]-2-(trifluoromethyl)phenol has a molecular weight of 231.22 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)cyclopropyl]-2-(trifluoromethyl)phenol is sourced from PubChem (CID 117333712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).