2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propan-1-ol

C8H14F3NO — CID 61045652

IUPAC2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propan-1-ol
SMILESCC(CO)(NCC(F)(F)F)C1CC1
InChIInChI=1S/C8H14F3NO/c1-7(5-13,6-2-3-6)12-4-8(9,10)11/h6,12-13H,2-5H2,1H3
InChIKeyIHRXPHMFDLPQPH-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.30
Rot. Bonds4

About 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propan-1-ol

2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propan-1-ol (PubChem CID 61045652) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propan-1-ol
PubChem CID61045652
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propan-1-ol
SMILESCC(CO)(NCC(F)(F)F)C1CC1
InChIInChI=1S/C8H14F3NO/c1-7(5-13,6-2-3-6)12-4-8(9,10)11/h6,12-13H,2-5H2,1H3
InChIKeyIHRXPHMFDLPQPH-UHFFFAOYSA-N
XLogP1.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3,3-Difluoro-1-(propan-2-ylamino)cyclobutyl]methanol
CID 146476194
2-Propyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61044740
2,5-Dimethyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol
CID 61045279
2-Methyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61045280
2,4-Dimethyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61045283
4-Methyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61045848
2-(2,2-Difluoroethylamino)-4-methylpentan-1-ol
CID 61246577
2-Cyclopropyl-2-(2,2,2-trifluoroethylamino)ethanol
CID 61310577
3-Ethyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61317520
3-Methyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61319551
2,3-Dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol
CID 62487591
4-Methyl-2-(3,3,3-trifluoropropylamino)pentan-1-ol
CID 64554605

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propan-1-ol (CID 61045652) is 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propan-1-ol is CC(CO)(NCC(F)(F)F)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propan-1-ol?
The InChIKey is IHRXPHMFDLPQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-7(5-13,6-2-3-6)12-4-8(9,10)11/h6,12-13H,2-5H2,1H3.
What are the key properties of 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propan-1-ol?
2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propan-1-ol has a molecular weight of 197.20 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propan-1-ol is sourced from PubChem (CID 61045652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).