2-amino-1-(trifluoromethyl)cyclobutan-1-ol

C5H8F3NO — CID 54594715

IUPAC2-amino-1-(trifluoromethyl)cyclobutan-1-ol
SMILESNC1CCC1(O)C(F)(F)F
InChIInChI=1S/C5H8F3NO/c6-5(7,8)4(10)2-1-3(4)9/h3,10H,1-2,9H2
InChIKeyLDHGETDLVALRDH-UHFFFAOYSA-N
MW155.12 g/mol
LogP0.40
Rot. Bonds

About 2-amino-1-(trifluoromethyl)cyclobutan-1-ol

2-amino-1-(trifluoromethyl)cyclobutan-1-ol (PubChem CID 54594715) has the molecular formula C5H8F3NO and a molecular weight of 155.12 g/mol. Its IUPAC name is 2-amino-1-(trifluoromethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name2-amino-1-(trifluoromethyl)cyclobutan-1-ol
PubChem CID54594715
Molecular FormulaC5H8F3NO
Molecular Weight155.12 g/mol
Exact Mass155.06
IUPAC Name2-amino-1-(trifluoromethyl)cyclobutan-1-ol
SMILESNC1CCC1(O)C(F)(F)F
InChIInChI=1S/C5H8F3NO/c6-5(7,8)4(10)2-1-3(4)9/h3,10H,1-2,9H2
InChIKeyLDHGETDLVALRDH-UHFFFAOYSA-N
XLogP0.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(trifluoromethyl)cyclobutan-1-ol?
The IUPAC name of 2-amino-1-(trifluoromethyl)cyclobutan-1-ol (CID 54594715) is 2-amino-1-(trifluoromethyl)cyclobutan-1-ol.
What is the SMILES notation for 2-amino-1-(trifluoromethyl)cyclobutan-1-ol?
The canonical SMILES for 2-amino-1-(trifluoromethyl)cyclobutan-1-ol is NC1CCC1(O)C(F)(F)F.
What is the InChIKey of 2-amino-1-(trifluoromethyl)cyclobutan-1-ol?
The InChIKey is LDHGETDLVALRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO/c6-5(7,8)4(10)2-1-3(4)9/h3,10H,1-2,9H2.
What are the key properties of 2-amino-1-(trifluoromethyl)cyclobutan-1-ol?
2-amino-1-(trifluoromethyl)cyclobutan-1-ol has a molecular weight of 155.12 g/mol, XLogP of 0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(trifluoromethyl)cyclobutan-1-ol is sourced from PubChem (CID 54594715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).