3-amino-2-(cyclopenten-1-yl)-1,1,1-trifluoropropan-2-ol

C8H12F3NO — CID 165450827

IUPAC3-amino-2-(cyclopenten-1-yl)-1,1,1-trifluoropropan-2-ol
SMILESNCC(O)(C1=CCCC1)C(F)(F)F
InChIInChI=1S/C8H12F3NO/c9-8(10,11)7(13,5-12)6-3-1-2-4-6/h3,13H,1-2,4-5,12H2
InChIKeyBSIJHHJFXXXMPG-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.35
Rot. Bonds2

About 3-amino-2-(cyclopenten-1-yl)-1,1,1-trifluoropropan-2-ol

3-amino-2-(cyclopenten-1-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 165450827) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 3-amino-2-(cyclopenten-1-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-amino-2-(cyclopenten-1-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID165450827
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name3-amino-2-(cyclopenten-1-yl)-1,1,1-trifluoropropan-2-ol
SMILESNCC(O)(C1=CCCC1)C(F)(F)F
InChIInChI=1S/C8H12F3NO/c9-8(10,11)7(13,5-12)6-3-1-2-4-6/h3,13H,1-2,4-5,12H2
InChIKeyBSIJHHJFXXXMPG-UHFFFAOYSA-N
XLogP1.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(cyclopenten-1-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-amino-2-(cyclopenten-1-yl)-1,1,1-trifluoropropan-2-ol (CID 165450827) is 3-amino-2-(cyclopenten-1-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-amino-2-(cyclopenten-1-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-amino-2-(cyclopenten-1-yl)-1,1,1-trifluoropropan-2-ol is NCC(O)(C1=CCCC1)C(F)(F)F.
What is the InChIKey of 3-amino-2-(cyclopenten-1-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is BSIJHHJFXXXMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c9-8(10,11)7(13,5-12)6-3-1-2-4-6/h3,13H,1-2,4-5,12H2.
What are the key properties of 3-amino-2-(cyclopenten-1-yl)-1,1,1-trifluoropropan-2-ol?
3-amino-2-(cyclopenten-1-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 195.18 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(cyclopenten-1-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 165450827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).