3,3,3-trifluoro-2-[[(1-hydroxycyclohexyl)methylamino]methyl]propanenitrile

C11H17F3N2O — CID 103367342

IUPAC3,3,3-trifluoro-2-[[(1-hydroxycyclohexyl)methylamino]methyl]propanenitrile
SMILESN#CC(CNCC1(O)CCCCC1)C(F)(F)F
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)9(6-15)7-16-8-10(17)4-2-1-3-5-10/h9,16-17H,1-5,7-8H2
InChIKeyDPSBHLCOQQHBHV-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.97
Rot. Bonds4

About 3,3,3-trifluoro-2-[[(1-hydroxycyclohexyl)methylamino]methyl]propanenitrile

3,3,3-trifluoro-2-[[(1-hydroxycyclohexyl)methylamino]methyl]propanenitrile (PubChem CID 103367342) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[(1-hydroxycyclohexyl)methylamino]methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[(1-hydroxycyclohexyl)methylamino]methyl]propanenitrile
PubChem CID103367342
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name3,3,3-trifluoro-2-[[(1-hydroxycyclohexyl)methylamino]methyl]propanenitrile
SMILESN#CC(CNCC1(O)CCCCC1)C(F)(F)F
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)9(6-15)7-16-8-10(17)4-2-1-3-5-10/h9,16-17H,1-5,7-8H2
InChIKeyDPSBHLCOQQHBHV-UHFFFAOYSA-N
XLogP1.97
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Ethylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64758873
4,4-Difluoro-1-[(propan-2-ylamino)methyl]cyclohexan-1-ol
CID 177955087
4,4-Difluoro-1-(methylaminomethyl)cyclohexan-1-ol;ethane
CID 177955466
1-{[(2,2,2-Trifluoroethyl)amino]methyl}cyclohexan-1-ol
CID 60899407
1-[(3,3,3-Trifluoropropylamino)methyl]cyclohexan-1-ol
CID 63227075
1-(Methylaminomethyl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 64757354
1-(Ethylaminomethyl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 64757355
1-(Propylaminomethyl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 64757356
1-[(Propan-2-ylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 64757357
1-[(Tert-butylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 64757554
1-[(2-Methylpropylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 64757555
1-(Propylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64758874

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[(1-hydroxycyclohexyl)methylamino]methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[[(1-hydroxycyclohexyl)methylamino]methyl]propanenitrile (CID 103367342) is 3,3,3-trifluoro-2-[[(1-hydroxycyclohexyl)methylamino]methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[[(1-hydroxycyclohexyl)methylamino]methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[[(1-hydroxycyclohexyl)methylamino]methyl]propanenitrile is N#CC(CNCC1(O)CCCCC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[(1-hydroxycyclohexyl)methylamino]methyl]propanenitrile?
The InChIKey is DPSBHLCOQQHBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c12-11(13,14)9(6-15)7-16-8-10(17)4-2-1-3-5-10/h9,16-17H,1-5,7-8H2.
What are the key properties of 3,3,3-trifluoro-2-[[(1-hydroxycyclohexyl)methylamino]methyl]propanenitrile?
3,3,3-trifluoro-2-[[(1-hydroxycyclohexyl)methylamino]methyl]propanenitrile has a molecular weight of 250.26 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[(1-hydroxycyclohexyl)methylamino]methyl]propanenitrile is sourced from PubChem (CID 103367342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).