2-fluoro-2-(trifluoromethyl)undecan-1-ol

C12H22F4O — CID 19891405

IUPAC2-fluoro-2-(trifluoromethyl)undecan-1-ol
SMILESCCCCCCCCCC(F)(CO)C(F)(F)F
InChIInChI=1S/C12H22F4O/c1-2-3-4-5-6-7-8-9-11(13,10-17)12(14,15)16/h17H,2-10H2,1H3
InChIKeyYHSOLQUGRLOHEH-UHFFFAOYSA-N
MW258.30 g/mol
LogP4.39
Rot. Bonds9

About 2-fluoro-2-(trifluoromethyl)undecan-1-ol

2-fluoro-2-(trifluoromethyl)undecan-1-ol (PubChem CID 19891405) has the molecular formula C12H22F4O and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-fluoro-2-(trifluoromethyl)undecan-1-ol.

Molecular Properties

Compound Name2-fluoro-2-(trifluoromethyl)undecan-1-ol
PubChem CID19891405
Molecular FormulaC12H22F4O
Molecular Weight258.30 g/mol
Exact Mass258.16
IUPAC Name2-fluoro-2-(trifluoromethyl)undecan-1-ol
SMILESCCCCCCCCCC(F)(CO)C(F)(F)F
InChIInChI=1S/C12H22F4O/c1-2-3-4-5-6-7-8-9-11(13,10-17)12(14,15)16/h17H,2-10H2,1H3
InChIKeyYHSOLQUGRLOHEH-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluorododecan-1-ol
CID 86222269
2-fluoro-2-methylhexadecan-1-ol
CID 139634379
2-ethyl-2-fluorodecan-1-ol
CID 87200056
2,2-di(undecyl)tridecan-1-ol
CID 176610401
2,2-dioctyldecan-1-ol
CID 87374856
9-fluoropentacosan-9-ol
CID 139794548
1,1,1,2,2-pentafluorononadecane
CID 98452406
1,1,1-trifluorohexadecane
CID 15685316
2,6-didodecyl-2,6-bis(hydroxymethyl)heptane-1,7-diol
CID 142452979
2,2-dimethyldecan-1-ol
CID 520069
2-methyl-2-octyltridecan-1-ol
CID 138517447
2-dodecyl-2-methylhexadecan-1-ol
CID 138503707

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(trifluoromethyl)undecan-1-ol?
The IUPAC name of 2-fluoro-2-(trifluoromethyl)undecan-1-ol (CID 19891405) is 2-fluoro-2-(trifluoromethyl)undecan-1-ol.
What is the SMILES notation for 2-fluoro-2-(trifluoromethyl)undecan-1-ol?
The canonical SMILES for 2-fluoro-2-(trifluoromethyl)undecan-1-ol is CCCCCCCCCC(F)(CO)C(F)(F)F.
What is the InChIKey of 2-fluoro-2-(trifluoromethyl)undecan-1-ol?
The InChIKey is YHSOLQUGRLOHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F4O/c1-2-3-4-5-6-7-8-9-11(13,10-17)12(14,15)16/h17H,2-10H2,1H3.
What are the key properties of 2-fluoro-2-(trifluoromethyl)undecan-1-ol?
2-fluoro-2-(trifluoromethyl)undecan-1-ol has a molecular weight of 258.30 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(trifluoromethyl)undecan-1-ol is sourced from PubChem (CID 19891405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).