3-(3,3-difluorocyclohexyl)-2-hydroxy-2-methylpropanal

C10H16F2O2 — CID 130487413

IUPAC3-(3,3-difluorocyclohexyl)-2-hydroxy-2-methylpropanal
SMILESCC(O)(C=O)CC1CCCC(F)(F)C1
InChIInChI=1S/C10H16F2O2/c1-9(14,7-13)5-8-3-2-4-10(11,12)6-8/h7-8,14H,2-6H2,1H3
InChIKeySUFBXTWHVAHQHB-UHFFFAOYSA-N
MW206.23 g/mol
LogP2.15
Rot. Bonds3

About 3-(3,3-difluorocyclohexyl)-2-hydroxy-2-methylpropanal

3-(3,3-difluorocyclohexyl)-2-hydroxy-2-methylpropanal (PubChem CID 130487413) has the molecular formula C10H16F2O2 and a molecular weight of 206.23 g/mol. Its IUPAC name is 3-(3,3-difluorocyclohexyl)-2-hydroxy-2-methylpropanal.

Molecular Properties

Compound Name3-(3,3-difluorocyclohexyl)-2-hydroxy-2-methylpropanal
PubChem CID130487413
Molecular FormulaC10H16F2O2
Molecular Weight206.23 g/mol
Exact Mass206.11
IUPAC Name3-(3,3-difluorocyclohexyl)-2-hydroxy-2-methylpropanal
SMILESCC(O)(C=O)CC1CCCC(F)(F)C1
InChIInChI=1S/C10H16F2O2/c1-9(14,7-13)5-8-3-2-4-10(11,12)6-8/h7-8,14H,2-6H2,1H3
InChIKeySUFBXTWHVAHQHB-UHFFFAOYSA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 52.15
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

1-(4,4-Difluoro-1-hydroxycyclohexyl)-2-methylpropan-1-one
CID 89692622
4,4-Difluoro-1-hydroxycyclohexane-1-carbaldehyde
CID 134421167
9,9-Difluoro-7-hydroxy-8-methylnonanal
CID 138473518
1-(4,4-Difluoro-1-hydroxycyclohexyl)ethanone;ethane
CID 145610287
(3R)-3-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-2-one
CID 166085249
2-(1,2,3,4,4a,5,6,7,8,8a-Decahydronaphthalen-1-ylmethyl)-3,3,3-trifluoro-2-hydroxypropanal
CID 174537537
3-[4-(2-Hydroxy-2-methylpropyl)cyclohexyl]propanal
CID 155166872
2-Cyclohexyl-2-ethoxy-3,3,3-trifluoropropanal
CID 10014423
2-(Cyclohexylmethyl)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropentanal
CID 10020872
2-Cyclohexyl-2-ethoxy-3,3,4,4,4-pentafluorobutanal
CID 10266098
2-(Cyclohexylmethyl)-2-ethoxy-3,3,4,4,4-pentafluorobutanal
CID 10470159
2-Cyclohexyl-2-ethoxy-3,3,4,4,5,5,5-heptafluoropentanal
CID 10472285

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluorocyclohexyl)-2-hydroxy-2-methylpropanal?
The IUPAC name of 3-(3,3-difluorocyclohexyl)-2-hydroxy-2-methylpropanal (CID 130487413) is 3-(3,3-difluorocyclohexyl)-2-hydroxy-2-methylpropanal.
What is the SMILES notation for 3-(3,3-difluorocyclohexyl)-2-hydroxy-2-methylpropanal?
The canonical SMILES for 3-(3,3-difluorocyclohexyl)-2-hydroxy-2-methylpropanal is CC(O)(C=O)CC1CCCC(F)(F)C1.
What is the InChIKey of 3-(3,3-difluorocyclohexyl)-2-hydroxy-2-methylpropanal?
The InChIKey is SUFBXTWHVAHQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O2/c1-9(14,7-13)5-8-3-2-4-10(11,12)6-8/h7-8,14H,2-6H2,1H3.
What are the key properties of 3-(3,3-difluorocyclohexyl)-2-hydroxy-2-methylpropanal?
3-(3,3-difluorocyclohexyl)-2-hydroxy-2-methylpropanal has a molecular weight of 206.23 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluorocyclohexyl)-2-hydroxy-2-methylpropanal is sourced from PubChem (CID 130487413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).