3-(2,2-difluorocyclohexyl)-2-hydroxypropanal

C9H14F2O2 — CID 130877806

IUPAC3-(2,2-difluorocyclohexyl)-2-hydroxypropanal
SMILESO=CC(O)CC1CCCCC1(F)F
InChIInChI=1S/C9H14F2O2/c10-9(11)4-2-1-3-7(9)5-8(13)6-12/h6-8,13H,1-5H2
InChIKeyCHZVCLLNOMYDNB-UHFFFAOYSA-N
MW192.20 g/mol
LogP1.76
Rot. Bonds3

About 3-(2,2-difluorocyclohexyl)-2-hydroxypropanal

3-(2,2-difluorocyclohexyl)-2-hydroxypropanal (PubChem CID 130877806) has the molecular formula C9H14F2O2 and a molecular weight of 192.20 g/mol. Its IUPAC name is 3-(2,2-difluorocyclohexyl)-2-hydroxypropanal.

Molecular Properties

Compound Name3-(2,2-difluorocyclohexyl)-2-hydroxypropanal
PubChem CID130877806
Molecular FormulaC9H14F2O2
Molecular Weight192.20 g/mol
Exact Mass192.10
IUPAC Name3-(2,2-difluorocyclohexyl)-2-hydroxypropanal
SMILESO=CC(O)CC1CCCCC1(F)F
InChIInChI=1S/C9H14F2O2/c10-9(11)4-2-1-3-7(9)5-8(13)6-12/h6-8,13H,1-5H2
InChIKeyCHZVCLLNOMYDNB-UHFFFAOYSA-N
XLogP1.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexylketol
CID 12556905
2-(4,4-Difluorocyclohexyl)-2-methoxyacetaldehyde
CID 155819576
(2S)-2-cyclohexyl-2-hydroxyacetaldehyde
CID 12556906
(2R)-2-cyclohexyl-2-hydroxyacetaldehyde
CID 12556907
1-Cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-1-one
CID 10966144
Cyclohexanone, 2-(2,2,2-trifluoro-1-hydroxyethyl)-
CID 10943406
4-(1-Hydroxy-2,2,2-trifluoroethyl)cyclohexanone
CID 21252709
4-Cyclohexyl-1,1,1,3,3-pentafluoro-4-hydroxybutan-2-one
CID 57676397
1,1,1-Trifluoro-3-(4-hydroxycyclohexyl)propan-2-one
CID 58468168
4-(2,2,3,3,4,4,4-Heptafluoro-1-hydroxybutyl)cyclohexan-1-one
CID 58562810
4,4-Difluoro-1-hydroxycyclohexane-1-carbaldehyde
CID 134421167
9,9-Difluoro-7-hydroxy-8-methylnonanal
CID 138473518

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluorocyclohexyl)-2-hydroxypropanal?
The IUPAC name of 3-(2,2-difluorocyclohexyl)-2-hydroxypropanal (CID 130877806) is 3-(2,2-difluorocyclohexyl)-2-hydroxypropanal.
What is the SMILES notation for 3-(2,2-difluorocyclohexyl)-2-hydroxypropanal?
The canonical SMILES for 3-(2,2-difluorocyclohexyl)-2-hydroxypropanal is O=CC(O)CC1CCCCC1(F)F.
What is the InChIKey of 3-(2,2-difluorocyclohexyl)-2-hydroxypropanal?
The InChIKey is CHZVCLLNOMYDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O2/c10-9(11)4-2-1-3-7(9)5-8(13)6-12/h6-8,13H,1-5H2.
What are the key properties of 3-(2,2-difluorocyclohexyl)-2-hydroxypropanal?
3-(2,2-difluorocyclohexyl)-2-hydroxypropanal has a molecular weight of 192.20 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluorocyclohexyl)-2-hydroxypropanal is sourced from PubChem (CID 130877806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).