4-(1-aminocyclopropyl)-1,1,1-trifluorobutan-2-ol

C7H12F3NO — CID 84732500

IUPAC4-(1-aminocyclopropyl)-1,1,1-trifluorobutan-2-ol
SMILESNC1(CCC(O)C(F)(F)F)CC1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)5(12)1-2-6(11)3-4-6/h5,12H,1-4,11H2
InChIKeyZQCRBUYZDXTECH-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.18
Rot. Bonds3

About 4-(1-aminocyclopropyl)-1,1,1-trifluorobutan-2-ol

4-(1-aminocyclopropyl)-1,1,1-trifluorobutan-2-ol (PubChem CID 84732500) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 4-(1-aminocyclopropyl)-1,1,1-trifluorobutan-2-ol.

Molecular Properties

Compound Name4-(1-aminocyclopropyl)-1,1,1-trifluorobutan-2-ol
PubChem CID84732500
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name4-(1-aminocyclopropyl)-1,1,1-trifluorobutan-2-ol
SMILESNC1(CCC(O)C(F)(F)F)CC1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)5(12)1-2-6(11)3-4-6/h5,12H,1-4,11H2
InChIKeyZQCRBUYZDXTECH-UHFFFAOYSA-N
XLogP1.18
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

4-Amino-4-(trifluoromethyl)cyclohexan-1-ol
CID 54594720
1-(1-Aminocyclopentyl)-2,2,2-trifluoroethanol
CID 82407358
3-(1-Aminocyclopropyl)-1,1,1-trifluoropropan-2-ol
CID 82412962
4-Amino-4-(difluoromethyl)cyclohexan-1-ol
CID 165966062

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminocyclopropyl)-1,1,1-trifluorobutan-2-ol?
The IUPAC name of 4-(1-aminocyclopropyl)-1,1,1-trifluorobutan-2-ol (CID 84732500) is 4-(1-aminocyclopropyl)-1,1,1-trifluorobutan-2-ol.
What is the SMILES notation for 4-(1-aminocyclopropyl)-1,1,1-trifluorobutan-2-ol?
The canonical SMILES for 4-(1-aminocyclopropyl)-1,1,1-trifluorobutan-2-ol is NC1(CCC(O)C(F)(F)F)CC1.
What is the InChIKey of 4-(1-aminocyclopropyl)-1,1,1-trifluorobutan-2-ol?
The InChIKey is ZQCRBUYZDXTECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c8-7(9,10)5(12)1-2-6(11)3-4-6/h5,12H,1-4,11H2.
What are the key properties of 4-(1-aminocyclopropyl)-1,1,1-trifluorobutan-2-ol?
4-(1-aminocyclopropyl)-1,1,1-trifluorobutan-2-ol has a molecular weight of 183.17 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclopropyl)-1,1,1-trifluorobutan-2-ol is sourced from PubChem (CID 84732500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).