1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carbonitrile

C12H19F3N2O — CID 79650050

IUPAC1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carbonitrile
SMILESCC(C)NC1(C#N)CCC(OC(C)C(F)(F)F)C1
InChIInChI=1S/C12H19F3N2O/c1-8(2)17-11(7-16)5-4-10(6-11)18-9(3)12(13,14)15/h8-10,17H,4-6H2,1-3H3
InChIKeyMILUPYZNLUKFIH-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.77
Rot. Bonds4

About 1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carbonitrile

1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carbonitrile (PubChem CID 79650050) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carbonitrile
PubChem CID79650050
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carbonitrile
SMILESCC(C)NC1(C#N)CCC(OC(C)C(F)(F)F)C1
InChIInChI=1S/C12H19F3N2O/c1-8(2)17-11(7-16)5-4-10(6-11)18-9(3)12(13,14)15/h8-10,17H,4-6H2,1-3H3
InChIKeyMILUPYZNLUKFIH-UHFFFAOYSA-N
XLogP2.77
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexane-1-carbonitrile
CID 79637002
3-methoxy-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639311
1-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carbonitrile
CID 82789002
3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79638882
3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 112588934
3-octoxy-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639620
3-(1-methoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79637079
3-(1-ethoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 103489745
3-(3,4-difluorophenoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79650522
3-(2-fluoro-5-methylphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79650689
3-(4-ethylphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79650276
3-(3,4-dimethylphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79650437

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carbonitrile (CID 79650050) is 1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carbonitrile is CC(C)NC1(C#N)CCC(OC(C)C(F)(F)F)C1.
What is the InChIKey of 1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carbonitrile?
The InChIKey is MILUPYZNLUKFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-8(2)17-11(7-16)5-4-10(6-11)18-9(3)12(13,14)15/h8-10,17H,4-6H2,1-3H3.
What are the key properties of 1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carbonitrile?
1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carbonitrile has a molecular weight of 264.29 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79650050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).