(2,2,3,3,4,4,6-heptafluoro-5,5,6-trimethylcyclohexyl)methanol

C10H13F7O — CID 134604963

IUPAC(2,2,3,3,4,4,6-heptafluoro-5,5,6-trimethylcyclohexyl)methanol
SMILESCC1(F)C(CO)C(F)(F)C(F)(F)C(F)(F)C1(C)C
InChIInChI=1S/C10H13F7O/c1-6(2)7(3,11)5(4-18)8(12,13)10(16,17)9(6,14)15/h5,18H,4H2,1-3H3
InChIKeyDQCDOZOVKCNIQG-UHFFFAOYSA-N
MW282.20 g/mol
LogP3.27
Rot. Bonds1

About (2,2,3,3,4,4,6-heptafluoro-5,5,6-trimethylcyclohexyl)methanol

(2,2,3,3,4,4,6-heptafluoro-5,5,6-trimethylcyclohexyl)methanol (PubChem CID 134604963) has the molecular formula C10H13F7O and a molecular weight of 282.20 g/mol. Its IUPAC name is (2,2,3,3,4,4,6-heptafluoro-5,5,6-trimethylcyclohexyl)methanol.

Molecular Properties

Compound Name(2,2,3,3,4,4,6-heptafluoro-5,5,6-trimethylcyclohexyl)methanol
PubChem CID134604963
Molecular FormulaC10H13F7O
Molecular Weight282.20 g/mol
Exact Mass282.09
IUPAC Name(2,2,3,3,4,4,6-heptafluoro-5,5,6-trimethylcyclohexyl)methanol
SMILESCC1(F)C(CO)C(F)(F)C(F)(F)C(F)(F)C1(C)C
InChIInChI=1S/C10H13F7O/c1-6(2)7(3,11)5(4-18)8(12,13)10(16,17)9(6,14)15/h5,18H,4H2,1-3H3
InChIKeyDQCDOZOVKCNIQG-UHFFFAOYSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.20
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,4-heptafluoro-4,5-dimethylcyclopentane
CID 155107426
[(1S,3R)-1,3-dimethyl-2-bicyclo[1.1.0]butanyl]methanol
CID 130694554
1,1-difluoro-2,2,3,3-tetramethylcyclopropane
CID 576606
1,1,2,2,3,3,4,4,5,6-decafluoro-5-methylcyclohexane
CID 154317052
[(1S,3S)-2,2-dichloro-3-methyl-3-(trifluoromethyl)cyclopropyl]methanol
CID 54007933
[(1S)-2,2-difluoro-1-methylcyclopropyl]methanol
CID 92980110
(4-fluoro-4-methylcyclohexyl)methanol
CID 84649094
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6,7,7,8,8-pentamethyl-4a,8a-dihydronaphthalene
CID 22642483
2-tricyclo[1.1.1.01,3]pentanylmethanol
CID 10975409
[3-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol
CID 14320848
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-4a,8a-dihydronaphthalene
CID 21225585
1,1-difluoro-2,2,3,3,4,4,5,5,6,6-decamethylcyclohexane
CID 68649915

Frequently Asked Questions

What is the IUPAC name of (2,2,3,3,4,4,6-heptafluoro-5,5,6-trimethylcyclohexyl)methanol?
The IUPAC name of (2,2,3,3,4,4,6-heptafluoro-5,5,6-trimethylcyclohexyl)methanol (CID 134604963) is (2,2,3,3,4,4,6-heptafluoro-5,5,6-trimethylcyclohexyl)methanol.
What is the SMILES notation for (2,2,3,3,4,4,6-heptafluoro-5,5,6-trimethylcyclohexyl)methanol?
The canonical SMILES for (2,2,3,3,4,4,6-heptafluoro-5,5,6-trimethylcyclohexyl)methanol is CC1(F)C(CO)C(F)(F)C(F)(F)C(F)(F)C1(C)C.
What is the InChIKey of (2,2,3,3,4,4,6-heptafluoro-5,5,6-trimethylcyclohexyl)methanol?
The InChIKey is DQCDOZOVKCNIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F7O/c1-6(2)7(3,11)5(4-18)8(12,13)10(16,17)9(6,14)15/h5,18H,4H2,1-3H3.
What are the key properties of (2,2,3,3,4,4,6-heptafluoro-5,5,6-trimethylcyclohexyl)methanol?
(2,2,3,3,4,4,6-heptafluoro-5,5,6-trimethylcyclohexyl)methanol has a molecular weight of 282.20 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,3,3,4,4,6-heptafluoro-5,5,6-trimethylcyclohexyl)methanol is sourced from PubChem (CID 134604963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).