2-fluoro-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol

C8H4F12O — CID 18541653

IUPAC2-fluoro-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol
SMILESOCC(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H4F12O/c9-2(1-21)3(10)4(11,12)6(15,16)8(19,20)7(17,18)5(3,13)14/h2,21H,1H2
InChIKeyNHNHTVRQQDCGEB-UHFFFAOYSA-N
MW344.10 g/mol
LogP3.22
Rot. Bonds2

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

2-fluoro-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol (PubChem CID 18541653) has the molecular formula C8H4F12O and a molecular weight of 344.10 g/mol. Its IUPAC name is 2-fluoro-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol.

Molecular Properties

Compound Name2-fluoro-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol
PubChem CID18541653
Molecular FormulaC8H4F12O
Molecular Weight344.10 g/mol
Exact Mass344.01
IUPAC Name2-fluoro-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol
SMILESOCC(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H4F12O/c9-2(1-21)3(10)4(11,12)6(15,16)8(19,20)7(17,18)5(3,13)14/h2,21H,1H2
InChIKeyNHNHTVRQQDCGEB-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.10
LogP ≤ 53.22
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
3,3,4,4,5,5,6,6,7,8,8,8-Dodecafluoro-7-(trifluoromethyl)octan-1-ol
CID 2776232
Perfluorocyclohexylmethanol
CID 2782563
1-Cyclohexyl-2,2,2-trifluoroethan-1-ol
CID 10943092
7,8,8,8-Tetrafluoro-7-(trifluoromethyl)octan-1-ol
CID 2776192
2-(Perfluoro-7-methyloctyl)ethanol
CID 2776203
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-Icosafluoro-11-(trifluoromethyl)dodecan-1-ol
CID 2776212
7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-Hexadecafluoro-13-(trifluoromethyl)tetradecan-1-ol
CID 2776233
5,5,6,6,7,7,7-Heptafluoro-4,4-bis(trifluoromethyl)heptan-1-ol
CID 13637735
3-(Perfluoro-7-methyloctyl)propanol
CID 86017153
(4,4-Difluorocyclohexyl)methanol
CID 21184133
Alcohols, C8-14, gamma-omega-perfluoro
CID 110094

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol?
The IUPAC name of 2-fluoro-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol (CID 18541653) is 2-fluoro-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol.
What is the SMILES notation for 2-fluoro-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol?
The canonical SMILES for 2-fluoro-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol is OCC(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2-fluoro-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol?
The InChIKey is NHNHTVRQQDCGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F12O/c9-2(1-21)3(10)4(11,12)6(15,16)8(19,20)7(17,18)5(3,13)14/h2,21H,1H2.
What are the key properties of 2-fluoro-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol?
2-fluoro-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol has a molecular weight of 344.10 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol is sourced from PubChem (CID 18541653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).