2-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]acetaldehyde

C10H14F4O — CID 84735787

IUPAC2-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]acetaldehyde
SMILESO=CCC1CCC(C(F)C(F)(F)F)CC1
InChIInChI=1S/C10H14F4O/c11-9(10(12,13)14)8-3-1-7(2-4-8)5-6-15/h6-9H,1-5H2
InChIKeyVEPCLFYSCJZAGW-UHFFFAOYSA-N
MW226.21 g/mol
LogP3.28
Rot. Bonds3

About 2-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]acetaldehyde

2-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]acetaldehyde (PubChem CID 84735787) has the molecular formula C10H14F4O and a molecular weight of 226.21 g/mol. Its IUPAC name is 2-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]acetaldehyde.

Molecular Properties

Compound Name2-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]acetaldehyde
PubChem CID84735787
Molecular FormulaC10H14F4O
Molecular Weight226.21 g/mol
Exact Mass226.10
IUPAC Name2-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]acetaldehyde
SMILESO=CCC1CCC(C(F)C(F)(F)F)CC1
InChIInChI=1S/C10H14F4O/c11-9(10(12,13)14)8-3-1-7(2-4-8)5-6-15/h6-9H,1-5H2
InChIKeyVEPCLFYSCJZAGW-UHFFFAOYSA-N
XLogP3.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(bromomethyl)-4-(1,2,2,2-tetrafluoroethyl)cyclohexane
CID 84738909
1-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]propan-2-amine
CID 84737021
[3,3,3-trifluoro-2-(trifluoromethyl)propyl]cyclopropane
CID 87736977
2-[4-(ethylaminomethyl)cyclohexyl]acetaldehyde
CID 87141647
[4-(2,3,3,3-tetrafluoropropyl)cyclohexyl]methanamine
CID 84735882
4-(1,2,2,3,3,3-hexafluoropropyl)cyclohexane-1-carbaldehyde
CID 174984499
2-[4-(tert-butylamino)cyclohexyl]acetaldehyde
CID 175732114
2-piperidin-4-ylacetaldehyde
CID 23401441
2-[1-(3,3-difluorobutyl)piperidin-4-yl]acetaldehyde
CID 84684721
2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetaldehyde
CID 84657699
2-cyclopentylacetaldehyde;2-cyclopentylethanol
CID 158462189
4-(2-oxoethyl)cyclohexane-1-carboxamide
CID 87477686

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]acetaldehyde?
The IUPAC name of 2-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]acetaldehyde (CID 84735787) is 2-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]acetaldehyde.
What is the SMILES notation for 2-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]acetaldehyde?
The canonical SMILES for 2-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]acetaldehyde is O=CCC1CCC(C(F)C(F)(F)F)CC1.
What is the InChIKey of 2-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]acetaldehyde?
The InChIKey is VEPCLFYSCJZAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F4O/c11-9(10(12,13)14)8-3-1-7(2-4-8)5-6-15/h6-9H,1-5H2.
What are the key properties of 2-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]acetaldehyde?
2-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]acetaldehyde has a molecular weight of 226.21 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]acetaldehyde is sourced from PubChem (CID 84735787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).