2,3-difluorocyclohexane-1-carbaldehyde

C7H10F2O — CID 118208262

IUPAC2,3-difluorocyclohexane-1-carbaldehyde
SMILESO=CC1CCCC(F)C1F
InChIInChI=1S/C7H10F2O/c8-6-3-1-2-5(4-10)7(6)9/h4-7H,1-3H2
InChIKeyVOSCPNLLTNPTDW-UHFFFAOYSA-N
MW148.15 g/mol
LogP1.66
Rot. Bonds1

About 2,3-difluorocyclohexane-1-carbaldehyde

2,3-difluorocyclohexane-1-carbaldehyde (PubChem CID 118208262) has the molecular formula C7H10F2O and a molecular weight of 148.15 g/mol. Its IUPAC name is 2,3-difluorocyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name2,3-difluorocyclohexane-1-carbaldehyde
PubChem CID118208262
Molecular FormulaC7H10F2O
Molecular Weight148.15 g/mol
Exact Mass148.07
IUPAC Name2,3-difluorocyclohexane-1-carbaldehyde
SMILESO=CC1CCCC(F)C1F
InChIInChI=1S/C7H10F2O/c8-6-3-1-2-5(4-10)7(6)9/h4-7H,1-3H2
InChIKeyVOSCPNLLTNPTDW-UHFFFAOYSA-N
XLogP1.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.15
LogP ≤ 51.66
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

cis-(1S,2S)-2-aminocyclohexane-1-carbaldehyde
CID 102087752
2-chloro-6-fluorocyclohexane-1-carbaldehyde
CID 88915349
cis-(1S,2R)-cyclobutane-1,2-dicarbaldehyde
CID 59901887
2-[(2R)-2-formylcyclopentyl]acetic acid
CID 130646280
1,2,3,4,5,6-hexafluorocyclododecane
CID 118221471
1-bromo-2,3-difluorocyclohexane
CID 118181696
trans-(1S,2R)-2-(dimethylamino)cyclopentane-1-carbaldehyde
CID 59356674
(2S)-2-dimethylphosphanylcyclopentane-1-carbaldehyde
CID 59961076
2-(hydroxymethyl)cyclohexane-1-carbaldehyde
CID 13194685
trans-(1R,2R)-2-butylcyclopentane-1-carbaldehyde
CID 131854449
2-formylcyclopentane-1-sulfonic acid
CID 175442125
2-pyrrolidin-1-ylcyclopentane-1-carbaldehyde
CID 59356655

Frequently Asked Questions

What is the IUPAC name of 2,3-difluorocyclohexane-1-carbaldehyde?
The IUPAC name of 2,3-difluorocyclohexane-1-carbaldehyde (CID 118208262) is 2,3-difluorocyclohexane-1-carbaldehyde.
What is the SMILES notation for 2,3-difluorocyclohexane-1-carbaldehyde?
The canonical SMILES for 2,3-difluorocyclohexane-1-carbaldehyde is O=CC1CCCC(F)C1F.
What is the InChIKey of 2,3-difluorocyclohexane-1-carbaldehyde?
The InChIKey is VOSCPNLLTNPTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O/c8-6-3-1-2-5(4-10)7(6)9/h4-7H,1-3H2.
What are the key properties of 2,3-difluorocyclohexane-1-carbaldehyde?
2,3-difluorocyclohexane-1-carbaldehyde has a molecular weight of 148.15 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluorocyclohexane-1-carbaldehyde is sourced from PubChem (CID 118208262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).