1-alumanyl-4,4-difluorocyclohexane-1-carbonitrile

C7H10AlF2N — CID 154443310

IUPAC1-alumanyl-4,4-difluorocyclohexane-1-carbonitrile
SMILESN#CC1([AlH2])CCC(F)(F)CC1
InChIInChI=1S/C7H8F2N.Al.2H/c8-7(9)3-1-6(5-10)2-4-7;;;/h1-4H2;;;
InChIKeyJWEVHIPYXHFWBH-UHFFFAOYSA-N
MW173.14 g/mol
LogP1.51
Rot. Bonds

About 1-alumanyl-4,4-difluorocyclohexane-1-carbonitrile

1-alumanyl-4,4-difluorocyclohexane-1-carbonitrile (PubChem CID 154443310) has the molecular formula C7H10AlF2N and a molecular weight of 173.14 g/mol. Its IUPAC name is 1-alumanyl-4,4-difluorocyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-alumanyl-4,4-difluorocyclohexane-1-carbonitrile
PubChem CID154443310
Molecular FormulaC7H10AlF2N
Molecular Weight173.14 g/mol
Exact Mass173.06
IUPAC Name1-alumanyl-4,4-difluorocyclohexane-1-carbonitrile
SMILESN#CC1([AlH2])CCC(F)(F)CC1
InChIInChI=1S/C7H8F2N.Al.2H/c8-7(9)3-1-6(5-10)2-4-7;;;/h1-4H2;;;
InChIKeyJWEVHIPYXHFWBH-UHFFFAOYSA-N
XLogP1.51
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.14
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyanomethyl)-4,4-difluorocyclohexane-1-carbonitrile
CID 118366557
6,6-difluorospiro[2.5]octane
CID 58561650
4,4-difluoro-1-(2-hydroxyethylamino)cyclohexane-1-carbonitrile
CID 164659287
5,5-difluorobicyclo[2.1.0]pentane-1,4-dicarbonitrile
CID 86240881
1-(4,4-difluoropiperidin-1-yl)cyclopentane-1-carbonitrile
CID 142602894
ethane;1-methylcyclopropane-1-carbonitrile
CID 142227750
4,4-difluoropiperidine;methane
CID 143607085
1,1-difluoro-4,4-dimethylcyclohexane;methane
CID 159801836
1-ethynyl-4,4-difluorocyclohexan-1-ol
CID 125480698
3-fluoro-1-(2-methylpropyl)pyrrolidine-3-carbonitrile
CID 131134151
1,1-difluoro-4-iodo-4-methylcyclohexane
CID 118653860
ethane;1-(propan-2-ylamino)cyclopropane-1-carbonitrile
CID 162749056

Frequently Asked Questions

What is the IUPAC name of 1-alumanyl-4,4-difluorocyclohexane-1-carbonitrile?
The IUPAC name of 1-alumanyl-4,4-difluorocyclohexane-1-carbonitrile (CID 154443310) is 1-alumanyl-4,4-difluorocyclohexane-1-carbonitrile.
What is the SMILES notation for 1-alumanyl-4,4-difluorocyclohexane-1-carbonitrile?
The canonical SMILES for 1-alumanyl-4,4-difluorocyclohexane-1-carbonitrile is N#CC1([AlH2])CCC(F)(F)CC1.
What is the InChIKey of 1-alumanyl-4,4-difluorocyclohexane-1-carbonitrile?
The InChIKey is JWEVHIPYXHFWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N.Al.2H/c8-7(9)3-1-6(5-10)2-4-7;;;/h1-4H2;;;.
What are the key properties of 1-alumanyl-4,4-difluorocyclohexane-1-carbonitrile?
1-alumanyl-4,4-difluorocyclohexane-1-carbonitrile has a molecular weight of 173.14 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-alumanyl-4,4-difluorocyclohexane-1-carbonitrile is sourced from PubChem (CID 154443310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).