2-ethyl-2-fluorodecan-1-ol

C12H25FO — CID 87200056

IUPAC2-ethyl-2-fluorodecan-1-ol
SMILESCCCCCCCCC(F)(CC)CO
InChIInChI=1S/C12H25FO/c1-3-5-6-7-8-9-10-12(13,4-2)11-14/h14H,3-11H2,1-2H3
InChIKeyBGKUNAMYAXVBSE-UHFFFAOYSA-N
MW204.33 g/mol
LogP3.85
Rot. Bonds9

About 2-ethyl-2-fluorodecan-1-ol

2-ethyl-2-fluorodecan-1-ol (PubChem CID 87200056) has the molecular formula C12H25FO and a molecular weight of 204.33 g/mol. Its IUPAC name is 2-ethyl-2-fluorodecan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-fluorodecan-1-ol
PubChem CID87200056
Molecular FormulaC12H25FO
Molecular Weight204.33 g/mol
Exact Mass204.19
IUPAC Name2-ethyl-2-fluorodecan-1-ol
SMILESCCCCCCCCC(F)(CC)CO
InChIInChI=1S/C12H25FO/c1-3-5-6-7-8-9-10-12(13,4-2)11-14/h14H,3-11H2,1-2H3
InChIKeyBGKUNAMYAXVBSE-UHFFFAOYSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 53.85
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-fluoro-2-methylhexadecan-1-ol
CID 139634379
2,2-difluorododecan-1-ol
CID 86222269
6-butyl-6-fluoroundecane
CID 11424735
2-ethyltridecane-1,2-diol
CID 88923996
8-ethyl-8-fluoro-2-methyltetradec-1-ene
CID 174259517
2-fluoro-2-(trifluoromethyl)undecan-1-ol
CID 19891405
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-trifluorohexadecane
CID 15685316
2,2-dimethyldecan-1-ol
CID 520069
2-butyltetradecane-1,2-diol
CID 88924076

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-fluorodecan-1-ol?
The IUPAC name of 2-ethyl-2-fluorodecan-1-ol (CID 87200056) is 2-ethyl-2-fluorodecan-1-ol.
What is the SMILES notation for 2-ethyl-2-fluorodecan-1-ol?
The canonical SMILES for 2-ethyl-2-fluorodecan-1-ol is CCCCCCCCC(F)(CC)CO.
What is the InChIKey of 2-ethyl-2-fluorodecan-1-ol?
The InChIKey is BGKUNAMYAXVBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FO/c1-3-5-6-7-8-9-10-12(13,4-2)11-14/h14H,3-11H2,1-2H3.
What are the key properties of 2-ethyl-2-fluorodecan-1-ol?
2-ethyl-2-fluorodecan-1-ol has a molecular weight of 204.33 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-fluorodecan-1-ol is sourced from PubChem (CID 87200056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).