(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanol

C7H3F11O — CID 2782563

IUPAC(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanol
SMILESOCC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H3F11O/c8-2(1-19)3(9,10)5(13,14)7(17,18)6(15,16)4(2,11)12/h19H,1H2
InChIKeyZFHKTQUHJNUDNH-UHFFFAOYSA-N
MW312.08 g/mol
LogP2.88
Rot. Bonds1

About (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanol

(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanol (PubChem CID 2782563) has the molecular formula C7H3F11O and a molecular weight of 312.08 g/mol. Its IUPAC name is (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanol.

Molecular Properties

Compound Name(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanol
PubChem CID2782563
Molecular FormulaC7H3F11O
Molecular Weight312.08 g/mol
Exact Mass312.00
IUPAC Name(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanol
SMILESOCC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H3F11O/c8-2(1-19)3(9,10)5(13,14)7(17,18)6(15,16)4(2,11)12/h19H,1H2
InChIKeyZFHKTQUHJNUDNH-UHFFFAOYSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.08
LogP ≤ 52.88
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-Octanol, 2,2,3,4,4,5,5,6,6,7,8,8,8-tridecafluoro-3,7-bis(trifluoromethyl)-
CID 2776097
(4,4-Difluorocyclohexyl)methanol
CID 21184133
(1-Fluorocyclohexyl)methanol
CID 18342450
(2,2-Difluorocyclohexyl)methanol
CID 84020822
[(1S)-3,3-difluorocyclohexyl]methanol
CID 98865387
4,5,5,6,6,6-Hexafluoro-4-(trifluoromethyl)hexan-1-ol
CID 2775052
2,2,3,4,4,5,6,6,6-Nonafluoro-3-(trifluoromethyl)hexan-1-ol
CID 11381976
2,2,3-Trifluoro-3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propan-1-ol
CID 18541648
2-Fluoro-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol
CID 18541653
[1,2,2,3,3,4,5,5,6,6-Decafluoro-4-(hydroxymethyl)cyclohexyl]methanol
CID 20143880
(2,2,3,3,4,4,5,5,6,6-Decafluorocyclohexyl)methanol
CID 22620650
2,2-Difluoro-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol
CID 23456994

Frequently Asked Questions

What is the IUPAC name of (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanol?
The IUPAC name of (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanol (CID 2782563) is (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanol.
What is the SMILES notation for (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanol?
The canonical SMILES for (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanol is OCC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanol?
The InChIKey is ZFHKTQUHJNUDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F11O/c8-2(1-19)3(9,10)5(13,14)7(17,18)6(15,16)4(2,11)12/h19H,1H2.
What are the key properties of (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanol?
(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanol has a molecular weight of 312.08 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanol is sourced from PubChem (CID 2782563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).