1-amino-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carbonitrile

C11H17F3N2O — CID 79575827

IUPAC1-amino-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carbonitrile
SMILESCC(OCCC1CCCC1(N)C#N)C(F)(F)F
InChIInChI=1S/C11H17F3N2O/c1-8(11(12,13)14)17-6-4-9-3-2-5-10(9,16)7-15/h8-9H,2-6,16H2,1H3
InChIKeyGCXYJBIRPULGPM-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.37
Rot. Bonds4

About 1-amino-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carbonitrile

1-amino-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carbonitrile (PubChem CID 79575827) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 1-amino-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carbonitrile
PubChem CID79575827
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name1-amino-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carbonitrile
SMILESCC(OCCC1CCCC1(N)C#N)C(F)(F)F
InChIInChI=1S/C11H17F3N2O/c1-8(11(12,13)14)17-6-4-9-3-2-5-10(9,16)7-15/h8-9H,2-6,16H2,1H3
InChIKeyGCXYJBIRPULGPM-UHFFFAOYSA-N
XLogP2.37
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-2-[2-(4-methylpentoxy)ethyl]cyclopentane-1-carbonitrile
CID 79572031
1-amino-2-[2-(2-methylpentoxy)ethyl]cyclopentane-1-carbonitrile
CID 103284836
1-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentane-1-carbonitrile
CID 113427255
1-amino-2-(2-cyclopentyloxyethyl)cyclopentane-1-carbonitrile
CID 79572377
1-amino-2-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carbonitrile
CID 79576891
1-amino-2-[2-[butan-2-yl(ethyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79565823
1-amino-2-[2-[2-(trifluoromethyl)phenoxy]ethyl]cyclopentane-1-carbonitrile
CID 79576663
1-amino-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentane-1-carbonitrile
CID 79577351
1-(propan-2-ylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylic acid
CID 79588108
1-amino-2-[2-[1-cyclopropylethyl(methyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79566124
1-amino-2-[2-(2-ethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile
CID 79573395
1-amino-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile
CID 79576810

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-amino-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carbonitrile (CID 79575827) is 1-amino-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-amino-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-amino-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carbonitrile is CC(OCCC1CCCC1(N)C#N)C(F)(F)F.
What is the InChIKey of 1-amino-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carbonitrile?
The InChIKey is GCXYJBIRPULGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-8(11(12,13)14)17-6-4-9-3-2-5-10(9,16)7-15/h8-9H,2-6,16H2,1H3.
What are the key properties of 1-amino-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carbonitrile?
1-amino-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carbonitrile has a molecular weight of 250.26 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79575827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).