3-amino-1-[2-(trifluoromethyl)phenyl]cyclobutan-1-ol

C11H12F3NO — CID 80561038

IUPAC3-amino-1-[2-(trifluoromethyl)phenyl]cyclobutan-1-ol
SMILESNC1CC(O)(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C11H12F3NO/c12-11(13,14)9-4-2-1-3-8(9)10(16)5-7(15)6-10/h1-4,7,16H,5-6,15H2
InChIKeyDYUQOTRRBBVPJW-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.01
Rot. Bonds1

About 3-amino-1-[2-(trifluoromethyl)phenyl]cyclobutan-1-ol

3-amino-1-[2-(trifluoromethyl)phenyl]cyclobutan-1-ol (PubChem CID 80561038) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 3-amino-1-[2-(trifluoromethyl)phenyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-amino-1-[2-(trifluoromethyl)phenyl]cyclobutan-1-ol
PubChem CID80561038
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name3-amino-1-[2-(trifluoromethyl)phenyl]cyclobutan-1-ol
SMILESNC1CC(O)(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C11H12F3NO/c12-11(13,14)9-4-2-1-3-8(9)10(16)5-7(15)6-10/h1-4,7,16H,5-6,15H2
InChIKeyDYUQOTRRBBVPJW-UHFFFAOYSA-N
XLogP2.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(trifluoromethyl)phenyl]cyclobutan-1-ol?
The IUPAC name of 3-amino-1-[2-(trifluoromethyl)phenyl]cyclobutan-1-ol (CID 80561038) is 3-amino-1-[2-(trifluoromethyl)phenyl]cyclobutan-1-ol.
What is the SMILES notation for 3-amino-1-[2-(trifluoromethyl)phenyl]cyclobutan-1-ol?
The canonical SMILES for 3-amino-1-[2-(trifluoromethyl)phenyl]cyclobutan-1-ol is NC1CC(O)(c2ccccc2C(F)(F)F)C1.
What is the InChIKey of 3-amino-1-[2-(trifluoromethyl)phenyl]cyclobutan-1-ol?
The InChIKey is DYUQOTRRBBVPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c12-11(13,14)9-4-2-1-3-8(9)10(16)5-7(15)6-10/h1-4,7,16H,5-6,15H2.
What are the key properties of 3-amino-1-[2-(trifluoromethyl)phenyl]cyclobutan-1-ol?
3-amino-1-[2-(trifluoromethyl)phenyl]cyclobutan-1-ol has a molecular weight of 231.22 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(trifluoromethyl)phenyl]cyclobutan-1-ol is sourced from PubChem (CID 80561038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).