cyclohexanecarbaldehyde;fluoroform

C8H13F3O — CID 156741172

IUPACcyclohexanecarbaldehyde;fluoroform
SMILESFC(F)F.O=CC1CCCCC1
InChIInChI=1S/C7H12O.CHF3/c8-6-7-4-2-1-3-5-7;2-1(3)4/h6-7H,1-5H2;1H
InChIKeySXBMHXHELLRHON-UHFFFAOYSA-N
MW182.18 g/mol
LogP2.94
Rot. Bonds1

About cyclohexanecarbaldehyde;fluoroform

cyclohexanecarbaldehyde;fluoroform (PubChem CID 156741172) has the molecular formula C8H13F3O and a molecular weight of 182.18 g/mol. Its IUPAC name is cyclohexanecarbaldehyde;fluoroform.

Molecular Properties

Compound Namecyclohexanecarbaldehyde;fluoroform
PubChem CID156741172
Molecular FormulaC8H13F3O
Molecular Weight182.18 g/mol
Exact Mass182.09
IUPAC Namecyclohexanecarbaldehyde;fluoroform
SMILESFC(F)F.O=CC1CCCCC1
InChIInChI=1S/C7H12O.CHF3/c8-6-7-4-2-1-3-5-7;2-1(3)4/h6-7H,1-5H2;1H
InChIKeySXBMHXHELLRHON-UHFFFAOYSA-N
XLogP2.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 52.94
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

cyclodecanecarbaldehyde
CID 13240747
cyclooctane-1,4-dicarbaldehyde
CID 19884381
cyclopentadecane-1,5-dicarbaldehyde
CID 135390185
carbanide;cyclopentane;cyclopentanecarbaldehyde;iron(2+)
CID 91654218
cyclooctane-1,5-dicarbaldehyde
CID 18542113
benzene;cyclohexanecarbaldehyde
CID 174845063
cyclohexanecarbaldehyde;ethane;methanol
CID 144911027
carbanide;cyclopentane;cyclopentanecarbaldehyde;ethane;ruthenium(2+)
CID 162292523
cyclohexanecarbaldehyde;dihydroxydiazene
CID 173217705
5-hydroxycyclononane-1-carbaldehyde
CID 90716773
4-cycloheptylcyclohexane-1-carbaldehyde
CID 118360341
cyclohexane-1,3-dicarbaldehyde
CID 23496622

Frequently Asked Questions

What is the IUPAC name of cyclohexanecarbaldehyde;fluoroform?
The IUPAC name of cyclohexanecarbaldehyde;fluoroform (CID 156741172) is cyclohexanecarbaldehyde;fluoroform.
What is the SMILES notation for cyclohexanecarbaldehyde;fluoroform?
The canonical SMILES for cyclohexanecarbaldehyde;fluoroform is FC(F)F.O=CC1CCCCC1.
What is the InChIKey of cyclohexanecarbaldehyde;fluoroform?
The InChIKey is SXBMHXHELLRHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O.CHF3/c8-6-7-4-2-1-3-5-7;2-1(3)4/h6-7H,1-5H2;1H.
What are the key properties of cyclohexanecarbaldehyde;fluoroform?
cyclohexanecarbaldehyde;fluoroform has a molecular weight of 182.18 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanecarbaldehyde;fluoroform is sourced from PubChem (CID 156741172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).