2-amino-2-(4,4-difluorocyclohexyl)acetaldehyde

C8H13F2NO — CID 168935659

IUPAC2-amino-2-(4,4-difluorocyclohexyl)acetaldehyde
SMILESNC(C=O)C1CCC(F)(F)CC1
InChIInChI=1S/C8H13F2NO/c9-8(10)3-1-6(2-4-8)7(11)5-12/h5-7H,1-4,11H2
InChIKeyWCQJFOBXKHPWOQ-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.34
Rot. Bonds2

About 2-amino-2-(4,4-difluorocyclohexyl)acetaldehyde

2-amino-2-(4,4-difluorocyclohexyl)acetaldehyde (PubChem CID 168935659) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 2-amino-2-(4,4-difluorocyclohexyl)acetaldehyde.

Molecular Properties

Compound Name2-amino-2-(4,4-difluorocyclohexyl)acetaldehyde
PubChem CID168935659
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name2-amino-2-(4,4-difluorocyclohexyl)acetaldehyde
SMILESNC(C=O)C1CCC(F)(F)CC1
InChIInChI=1S/C8H13F2NO/c9-8(10)3-1-6(2-4-8)7(11)5-12/h5-7H,1-4,11H2
InChIKeyWCQJFOBXKHPWOQ-UHFFFAOYSA-N
XLogP1.34
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4,4-difluorocyclohexyl)acetaldehyde?
The IUPAC name of 2-amino-2-(4,4-difluorocyclohexyl)acetaldehyde (CID 168935659) is 2-amino-2-(4,4-difluorocyclohexyl)acetaldehyde.
What is the SMILES notation for 2-amino-2-(4,4-difluorocyclohexyl)acetaldehyde?
The canonical SMILES for 2-amino-2-(4,4-difluorocyclohexyl)acetaldehyde is NC(C=O)C1CCC(F)(F)CC1.
What is the InChIKey of 2-amino-2-(4,4-difluorocyclohexyl)acetaldehyde?
The InChIKey is WCQJFOBXKHPWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c9-8(10)3-1-6(2-4-8)7(11)5-12/h5-7H,1-4,11H2.
What are the key properties of 2-amino-2-(4,4-difluorocyclohexyl)acetaldehyde?
2-amino-2-(4,4-difluorocyclohexyl)acetaldehyde has a molecular weight of 177.19 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4,4-difluorocyclohexyl)acetaldehyde is sourced from PubChem (CID 168935659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).