1-(1-aminocyclopropyl)-2,2,2-trifluoroethanol

C5H8F3NO — CID 84731330

IUPAC1-(1-aminocyclopropyl)-2,2,2-trifluoroethanol
SMILESNC1(C(O)C(F)(F)F)CC1
InChIInChI=1S/C5H8F3NO/c6-5(7,8)3(10)4(9)1-2-4/h3,10H,1-2,9H2
InChIKeyRVAMBEIPTIQXDG-UHFFFAOYSA-N
MW155.12 g/mol
LogP0.40
Rot. Bonds1

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

1-(1-aminocyclopropyl)-2,2,2-trifluoroethanol (PubChem CID 84731330) has the molecular formula C5H8F3NO and a molecular weight of 155.12 g/mol. Its IUPAC name is 1-(1-aminocyclopropyl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(1-aminocyclopropyl)-2,2,2-trifluoroethanol
PubChem CID84731330
Molecular FormulaC5H8F3NO
Molecular Weight155.12 g/mol
Exact Mass155.06
IUPAC Name1-(1-aminocyclopropyl)-2,2,2-trifluoroethanol
SMILESNC1(C(O)C(F)(F)F)CC1
InChIInChI=1S/C5H8F3NO/c6-5(7,8)3(10)4(9)1-2-4/h3,10H,1-2,9H2
InChIKeyRVAMBEIPTIQXDG-UHFFFAOYSA-N
XLogP0.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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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Related Compounds

3-Amino-1,1,1-trifluoro-3-methylbutan-2-ol hydrochloride
CID 19936549
1-(1-Aminocyclopropyl)ethan-1-ol
CID 66935111
3-Amino-1,1-difluoro-3-methylbutan-2-ol
CID 66037155
2-Butanol, 3-amino-1,1,1-trifluoro-3-methyl-
CID 19936550
(2S)-3-amino-1,1,1-trifluoro-3-methylbutan-2-ol;hydrochloride
CID 88364253
(2R)-3-amino-1,1,1-trifluoro-3-methylbutan-2-ol;hydrochloride
CID 88364257
3-(1-Aminocyclopropyl)-1,1,1-trifluoropropan-2-ol
CID 82412962
(2S)-3-amino-1,1,1-trifluoro-3-methylbutan-2-ol
CID 88364254
(2R)-3-amino-1,1,1-trifluoro-3-methylbutan-2-ol
CID 88364258
(1-Amino-2,2-difluorocyclopropyl)methanol
CID 112547554
3-Amino-1,1,1-trifluoro-3-methylpentan-2-ol
CID 131146867
[1-Amino-2-(difluoromethyl)cyclopropyl]methanol
CID 170602819

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopropyl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(1-aminocyclopropyl)-2,2,2-trifluoroethanol (CID 84731330) is 1-(1-aminocyclopropyl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(1-aminocyclopropyl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(1-aminocyclopropyl)-2,2,2-trifluoroethanol is NC1(C(O)C(F)(F)F)CC1.
What is the InChIKey of 1-(1-aminocyclopropyl)-2,2,2-trifluoroethanol?
The InChIKey is RVAMBEIPTIQXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO/c6-5(7,8)3(10)4(9)1-2-4/h3,10H,1-2,9H2.
What are the key properties of 1-(1-aminocyclopropyl)-2,2,2-trifluoroethanol?
1-(1-aminocyclopropyl)-2,2,2-trifluoroethanol has a molecular weight of 155.12 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopropyl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 84731330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).