2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile

C9H13F3N2O — CID 103367277

IUPAC2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile
SMILESN#CC(CNCC(O)C1CC1)C(F)(F)F
InChIInChI=1S/C9H13F3N2O/c10-9(11,12)7(3-13)4-14-5-8(15)6-1-2-6/h6-8,14-15H,1-2,4-5H2
InChIKeyKFFCXCGUGBYSKA-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.05
Rot. Bonds5

About 2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile

2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile (PubChem CID 103367277) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is 2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile.

Molecular Properties

Compound Name2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile
PubChem CID103367277
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile
SMILESN#CC(CNCC(O)C1CC1)C(F)(F)F
InChIInChI=1S/C9H13F3N2O/c10-9(11,12)7(3-13)4-14-5-8(15)6-1-2-6/h6-8,14-15H,1-2,4-5H2
InChIKeyKFFCXCGUGBYSKA-UHFFFAOYSA-N
XLogP1.05
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyclopropyl-2-(2,2-difluoroethylamino)ethanol
CID 63298404
1-Cyclopropyl-2-(2,2,2-trifluoroethylamino)ethanol
CID 63299040
3-[(2-Cyclopropyl-2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol
CID 63899645
1-Cyclopropyl-2-(3,3,3-trifluoropropylamino)ethanol
CID 64552306
3-(2-Cyclopropylethylamino)-1,1,1-trifluoropropan-2-ol
CID 65561612
1-Cyclopropyl-2-[2-(trifluoromethoxy)ethylamino]ethanol
CID 65804738
1-Cyclopropyl-2-(2-fluoroethylamino)ethanol
CID 80694705
1-Cyclopropyl-2-(3-fluoropropylamino)ethanol
CID 81107193
1-Cyclopropyl-2-(1,1-difluoropropan-2-ylamino)ethanol
CID 102869547
3,3,3-Trifluoro-2-[[(3-hydroxycyclobutyl)methylamino]methyl]propanenitrile
CID 103367367
3,3,3-Trifluoro-2-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]propanenitrile
CID 103367465
3,3,3-Trifluoro-2-[(2-hydroxybutylamino)methyl]propanenitrile
CID 103367574

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The IUPAC name of 2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile (CID 103367277) is 2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile.
What is the SMILES notation for 2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The canonical SMILES for 2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile is N#CC(CNCC(O)C1CC1)C(F)(F)F.
What is the InChIKey of 2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The InChIKey is KFFCXCGUGBYSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c10-9(11,12)7(3-13)4-14-5-8(15)6-1-2-6/h6-8,14-15H,1-2,4-5H2.
What are the key properties of 2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile has a molecular weight of 222.21 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile is sourced from PubChem (CID 103367277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).