1-(1-aminocyclopentyl)-2,2,2-trifluoroethanol

C7H12F3NO — CID 82407358

IUPAC1-(1-aminocyclopentyl)-2,2,2-trifluoroethanol
SMILESNC1(C(O)C(F)(F)F)CCCC1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)5(12)6(11)3-1-2-4-6/h5,12H,1-4,11H2
InChIKeyDUVJVBWWKXPTPP-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.18
Rot. Bonds1

About 1-(1-aminocyclopentyl)-2,2,2-trifluoroethanol

1-(1-aminocyclopentyl)-2,2,2-trifluoroethanol (PubChem CID 82407358) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 1-(1-aminocyclopentyl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(1-aminocyclopentyl)-2,2,2-trifluoroethanol
PubChem CID82407358
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name1-(1-aminocyclopentyl)-2,2,2-trifluoroethanol
SMILESNC1(C(O)C(F)(F)F)CCCC1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)5(12)6(11)3-1-2-4-6/h5,12H,1-4,11H2
InChIKeyDUVJVBWWKXPTPP-UHFFFAOYSA-N
XLogP1.18
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopentyl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(1-aminocyclopentyl)-2,2,2-trifluoroethanol (CID 82407358) is 1-(1-aminocyclopentyl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(1-aminocyclopentyl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(1-aminocyclopentyl)-2,2,2-trifluoroethanol is NC1(C(O)C(F)(F)F)CCCC1.
What is the InChIKey of 1-(1-aminocyclopentyl)-2,2,2-trifluoroethanol?
The InChIKey is DUVJVBWWKXPTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c8-7(9,10)5(12)6(11)3-1-2-4-6/h5,12H,1-4,11H2.
What are the key properties of 1-(1-aminocyclopentyl)-2,2,2-trifluoroethanol?
1-(1-aminocyclopentyl)-2,2,2-trifluoroethanol has a molecular weight of 183.17 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopentyl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 82407358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).