(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)methanol

C7H4F10O — CID 22620650

IUPAC(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)methanol
SMILESOCC1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H4F10O/c8-3(9)2(1-18)4(10,11)6(14,15)7(16,17)5(3,12)13/h2,18H,1H2
InChIKeyBSETYTDPBHCSBR-UHFFFAOYSA-N
MW294.09 g/mol
LogP2.79
Rot. Bonds1

About (2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)methanol

(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)methanol (PubChem CID 22620650) has the molecular formula C7H4F10O and a molecular weight of 294.09 g/mol. Its IUPAC name is (2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)methanol.

Molecular Properties

Compound Name(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)methanol
PubChem CID22620650
Molecular FormulaC7H4F10O
Molecular Weight294.09 g/mol
Exact Mass294.01
IUPAC Name(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)methanol
SMILESOCC1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H4F10O/c8-3(9)2(1-18)4(10,11)6(14,15)7(16,17)5(3,12)13/h2,18H,1H2
InChIKeyBSETYTDPBHCSBR-UHFFFAOYSA-N
XLogP2.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.09
LogP ≤ 52.79
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

Perfluorocyclohexylmethanol
CID 2782563
2-(Trifluoromethyl)cyclohexanol
CID 2777485
1-Cyclohexyl-2,2,2-trifluoroethan-1-ol
CID 10943092
(4,4-Difluorocyclohexyl)methanol
CID 21184133
(1-Fluorocyclohexyl)methanol
CID 18342450
(4-Fluorocyclohexyl)methanol
CID 44228134
(3-Fluorocyclohexyl)methanol
CID 44228136
[4-(Trifluoromethyl)cyclohexyl]methanol
CID 44228198
2-(4,4-Difluorocyclohexyl)ethan-1-ol
CID 66583726
3-(4,4-Difluorocyclohexyl)propan-1-ol
CID 122552790
(1s)-1-Cyclohexyl-2,2,2-trifluoroethan-1-ol
CID 11008557
(1R)-1-cyclohexyl-2,2,2-trifluoroethan-1-ol
CID 12636128

Frequently Asked Questions

What is the IUPAC name of (2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)methanol?
The IUPAC name of (2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)methanol (CID 22620650) is (2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)methanol.
What is the SMILES notation for (2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)methanol?
The canonical SMILES for (2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)methanol is OCC1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of (2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)methanol?
The InChIKey is BSETYTDPBHCSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F10O/c8-3(9)2(1-18)4(10,11)6(14,15)7(16,17)5(3,12)13/h2,18H,1H2.
What are the key properties of (2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)methanol?
(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)methanol has a molecular weight of 294.09 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)methanol is sourced from PubChem (CID 22620650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).