4-alumanyl-4-(aminomethyl)-1-(fluoromethyl)cyclohexan-1-ol

C8H17AlFNO — CID 163867370

IUPAC4-alumanyl-4-(aminomethyl)-1-(fluoromethyl)cyclohexan-1-ol
SMILESNCC1([AlH2])CCC(O)(CF)CC1
InChIInChI=1S/C8H15FNO.Al.2H/c9-6-8(11)3-1-7(5-10)2-4-8;;;/h11H,1-6,10H2;;;
InChIKeyPHUGTSVOHDTQRG-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.01
Rot. Bonds2

About 4-alumanyl-4-(aminomethyl)-1-(fluoromethyl)cyclohexan-1-ol

4-alumanyl-4-(aminomethyl)-1-(fluoromethyl)cyclohexan-1-ol (PubChem CID 163867370) has the molecular formula C8H17AlFNO and a molecular weight of 189.21 g/mol. Its IUPAC name is 4-alumanyl-4-(aminomethyl)-1-(fluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-alumanyl-4-(aminomethyl)-1-(fluoromethyl)cyclohexan-1-ol
PubChem CID163867370
Molecular FormulaC8H17AlFNO
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name4-alumanyl-4-(aminomethyl)-1-(fluoromethyl)cyclohexan-1-ol
SMILESNCC1([AlH2])CCC(O)(CF)CC1
InChIInChI=1S/C8H15FNO.Al.2H/c9-6-8(11)3-1-7(5-10)2-4-8;;;/h11H,1-6,10H2;;;
InChIKeyPHUGTSVOHDTQRG-UHFFFAOYSA-N
XLogP0.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-alumanyl-4-(aminomethyl)-1-(fluoromethyl)cyclohexan-1-ol?
The IUPAC name of 4-alumanyl-4-(aminomethyl)-1-(fluoromethyl)cyclohexan-1-ol (CID 163867370) is 4-alumanyl-4-(aminomethyl)-1-(fluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-alumanyl-4-(aminomethyl)-1-(fluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 4-alumanyl-4-(aminomethyl)-1-(fluoromethyl)cyclohexan-1-ol is NCC1([AlH2])CCC(O)(CF)CC1.
What is the InChIKey of 4-alumanyl-4-(aminomethyl)-1-(fluoromethyl)cyclohexan-1-ol?
The InChIKey is PHUGTSVOHDTQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FNO.Al.2H/c9-6-8(11)3-1-7(5-10)2-4-8;;;/h11H,1-6,10H2;;;.
What are the key properties of 4-alumanyl-4-(aminomethyl)-1-(fluoromethyl)cyclohexan-1-ol?
4-alumanyl-4-(aminomethyl)-1-(fluoromethyl)cyclohexan-1-ol has a molecular weight of 189.21 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-alumanyl-4-(aminomethyl)-1-(fluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 163867370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).