4,4-difluoro-1-(2-hydroxyethylamino)cyclohexane-1-carbonitrile

C9H14F2N2O — CID 164659287

IUPAC4,4-difluoro-1-(2-hydroxyethylamino)cyclohexane-1-carbonitrile
SMILESN#CC1(NCCO)CCC(F)(F)CC1
InChIInChI=1S/C9H14F2N2O/c10-9(11)3-1-8(7-12,2-4-9)13-5-6-14/h13-14H,1-6H2
InChIKeyGEKYBLSLMFUMCR-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.04
Rot. Bonds3

About 4,4-difluoro-1-(2-hydroxyethylamino)cyclohexane-1-carbonitrile

4,4-difluoro-1-(2-hydroxyethylamino)cyclohexane-1-carbonitrile (PubChem CID 164659287) has the molecular formula C9H14F2N2O and a molecular weight of 204.22 g/mol. Its IUPAC name is 4,4-difluoro-1-(2-hydroxyethylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4,4-difluoro-1-(2-hydroxyethylamino)cyclohexane-1-carbonitrile
PubChem CID164659287
Molecular FormulaC9H14F2N2O
Molecular Weight204.22 g/mol
Exact Mass204.11
IUPAC Name4,4-difluoro-1-(2-hydroxyethylamino)cyclohexane-1-carbonitrile
SMILESN#CC1(NCCO)CCC(F)(F)CC1
InChIInChI=1S/C9H14F2N2O/c10-9(11)3-1-8(7-12,2-4-9)13-5-6-14/h13-14H,1-6H2
InChIKeyGEKYBLSLMFUMCR-UHFFFAOYSA-N
XLogP1.04
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxypropylamino)cyclohexane-1-carbonitrile
CID 28702725
1-(propylamino)cyclopropane-1-carbonitrile
CID 103439401
8-(3-hydroxypropylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
CID 62588215
1-(2-methoxyethylamino)cyclopropane-1-carbonitrile
CID 103439453
1-(2-azidoethylamino)cyclopropane-1-carbonitrile
CID 103439456
1-(2-hydroxyethylamino)-2,2-dimethylcyclopentane-1-carbonitrile
CID 79856582
3-(3-hydroxypropylamino)-1,1-dioxothiolane-3-carbonitrile
CID 63166471
1-ethyl-4-(3-hydroxypropylamino)azepane-4-carbonitrile
CID 65076348
ethane;1-(propan-2-ylamino)cyclopropane-1-carbonitrile
CID 162749056
1-benzyl-3-(2-hydroxyethylamino)piperidine-3-carbonitrile
CID 62588038
1-(3-hydroxypropylamino)-3-methylcyclohexane-1-carbonitrile
CID 62586972
1-(cyanomethyl)-4,4-difluorocyclohexane-1-carbonitrile
CID 118366557

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(2-hydroxyethylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 4,4-difluoro-1-(2-hydroxyethylamino)cyclohexane-1-carbonitrile (CID 164659287) is 4,4-difluoro-1-(2-hydroxyethylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4,4-difluoro-1-(2-hydroxyethylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 4,4-difluoro-1-(2-hydroxyethylamino)cyclohexane-1-carbonitrile is N#CC1(NCCO)CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-(2-hydroxyethylamino)cyclohexane-1-carbonitrile?
The InChIKey is GEKYBLSLMFUMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O/c10-9(11)3-1-8(7-12,2-4-9)13-5-6-14/h13-14H,1-6H2.
What are the key properties of 4,4-difluoro-1-(2-hydroxyethylamino)cyclohexane-1-carbonitrile?
4,4-difluoro-1-(2-hydroxyethylamino)cyclohexane-1-carbonitrile has a molecular weight of 204.22 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(2-hydroxyethylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 164659287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).