4,4-difluoro-2,2-dimethylhex-5-en-3-ol

C8H14F2O — CID 12591139

IUPAC4,4-difluoro-2,2-dimethylhex-5-en-3-ol
SMILESC=CC(F)(F)C(O)C(C)(C)C
InChIInChI=1S/C8H14F2O/c1-5-8(9,10)6(11)7(2,3)4/h5-6,11H,1H2,2-4H3
InChIKeyRSHNTWJIVLJXPO-UHFFFAOYSA-N
MW164.19 g/mol
LogP2.21
Rot. Bonds2

About 4,4-difluoro-2,2-dimethylhex-5-en-3-ol

4,4-difluoro-2,2-dimethylhex-5-en-3-ol (PubChem CID 12591139) has the molecular formula C8H14F2O and a molecular weight of 164.19 g/mol. Its IUPAC name is 4,4-difluoro-2,2-dimethylhex-5-en-3-ol.

Molecular Properties

Compound Name4,4-difluoro-2,2-dimethylhex-5-en-3-ol
PubChem CID12591139
Molecular FormulaC8H14F2O
Molecular Weight164.19 g/mol
Exact Mass164.10
IUPAC Name4,4-difluoro-2,2-dimethylhex-5-en-3-ol
SMILESC=CC(F)(F)C(O)C(C)(C)C
InChIInChI=1S/C8H14F2O/c1-5-8(9,10)6(11)7(2,3)4/h5-6,11H,1H2,2-4H3
InChIKeyRSHNTWJIVLJXPO-UHFFFAOYSA-N
XLogP2.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-amino-2,2-difluoro-4,4-dimethylpentan-3-ol
CID 105433378
(3S)-2,2,4,4-tetramethylpentane-1,3-diol
CID 59590927
ethene;1,1,1-trifluoroethane
CID 175131333
3,4-difluoro-3-methylpent-1-ene
CID 123355021
3,3-difluorobut-1-ene;propane
CID 143721745
(3S,4S)-4-butyl-2,2,5,5-tetramethyloct-7-ene-3,4-diol
CID 101025337
(3S,4R)-2,2,4-trimethylhex-5-en-3-ol
CID 11182665
1-(4-bromophenyl)-2,2-difluorobut-3-en-1-ol
CID 15807454
2-methyl-N-(trifluoromethylsulfonyl)but-3-ene-2-sulfonamide
CID 123826601
3,3,3-trifluoroprop-1-ene
CID 90915807
methyl 4-[(1R)-2,2-difluoro-1-hydroxybut-3-enyl]benzoate
CID 125474515
1,1,1-trifluoro-3,3-dimethylpent-4-en-2-one
CID 89210308

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2,2-dimethylhex-5-en-3-ol?
The IUPAC name of 4,4-difluoro-2,2-dimethylhex-5-en-3-ol (CID 12591139) is 4,4-difluoro-2,2-dimethylhex-5-en-3-ol.
What is the SMILES notation for 4,4-difluoro-2,2-dimethylhex-5-en-3-ol?
The canonical SMILES for 4,4-difluoro-2,2-dimethylhex-5-en-3-ol is C=CC(F)(F)C(O)C(C)(C)C.
What is the InChIKey of 4,4-difluoro-2,2-dimethylhex-5-en-3-ol?
The InChIKey is RSHNTWJIVLJXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O/c1-5-8(9,10)6(11)7(2,3)4/h5-6,11H,1H2,2-4H3.
What are the key properties of 4,4-difluoro-2,2-dimethylhex-5-en-3-ol?
4,4-difluoro-2,2-dimethylhex-5-en-3-ol has a molecular weight of 164.19 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2,2-dimethylhex-5-en-3-ol is sourced from PubChem (CID 12591139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).