7-cyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanal

C13H12F12O — CID 10927754

IUPAC7-cyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanal
SMILESO=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CCCCC1
InChIInChI=1S/C13H12F12O/c14-8(15,6-26)10(18,19)12(22,23)13(24,25)11(20,21)9(16,17)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyHNGLFECMPHRQTB-UHFFFAOYSA-N
MW412.21 g/mol
LogP5.58
Rot. Bonds7

About 7-cyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanal

7-cyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanal (PubChem CID 10927754) has the molecular formula C13H12F12O and a molecular weight of 412.21 g/mol. Its IUPAC name is 7-cyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanal.

Molecular Properties

Compound Name7-cyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanal
PubChem CID10927754
Molecular FormulaC13H12F12O
Molecular Weight412.21 g/mol
Exact Mass412.07
IUPAC Name7-cyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanal
SMILESO=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CCCCC1
InChIInChI=1S/C13H12F12O/c14-8(15,6-26)10(18,19)12(22,23)13(24,25)11(20,21)9(16,17)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyHNGLFECMPHRQTB-UHFFFAOYSA-N
XLogP5.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.21
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanal
CID 23080700
(2-bromo-1,1,2,2-tetrafluoroethyl)cyclohexane
CID 557964
2,2-dicyclohexyl-2-hydroxyacetaldehyde
CID 91375251
formaldehyde;methane;trifluoromethylcyclohexane
CID 142523059
1-cyclohexyl-1,1,3,3,3-pentafluoro-2-methylpropan-2-ol
CID 90817555
1,1-difluoroprop-2-enylcyclohexane
CID 67843312
(1,1-difluoro-2,2-dimethylpropyl)cyclobutane
CID 176747969
1-iodo-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)cyclooctane
CID 153324225
tricyclohexylmethylsilane
CID 71348621
CID 100913906
CID 100913906
[(1S)-1,2-dichloro-1,2,2-trifluoroethyl]cyclohexane
CID 95049167
[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentane
CID 175402800

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanal?
The IUPAC name of 7-cyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanal (CID 10927754) is 7-cyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanal.
What is the SMILES notation for 7-cyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanal?
The canonical SMILES for 7-cyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanal is O=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CCCCC1.
What is the InChIKey of 7-cyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanal?
The InChIKey is HNGLFECMPHRQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F12O/c14-8(15,6-26)10(18,19)12(22,23)13(24,25)11(20,21)9(16,17)7-4-2-1-3-5-7/h6-7H,1-5H2.
What are the key properties of 7-cyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanal?
7-cyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanal has a molecular weight of 412.21 g/mol, XLogP of 5.58, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanal is sourced from PubChem (CID 10927754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).