4,4-difluoro-2,2-dimethyl-5-methylidenetridecan-3-ol

C16H30F2O — CID 132603530

IUPAC4,4-difluoro-2,2-dimethyl-5-methylidenetridecan-3-ol
SMILESC=C(CCCCCCCC)C(F)(F)C(O)C(C)(C)C
InChIInChI=1S/C16H30F2O/c1-6-7-8-9-10-11-12-13(2)16(17,18)14(19)15(3,4)5/h14,19H,2,6-12H2,1,3-5H3
InChIKeyHUCJIVYPSPJNOU-UHFFFAOYSA-N
MW276.41 g/mol
LogP5.34
Rot. Bonds9

About 4,4-difluoro-2,2-dimethyl-5-methylidenetridecan-3-ol

4,4-difluoro-2,2-dimethyl-5-methylidenetridecan-3-ol (PubChem CID 132603530) has the molecular formula C16H30F2O and a molecular weight of 276.41 g/mol. Its IUPAC name is 4,4-difluoro-2,2-dimethyl-5-methylidenetridecan-3-ol.

Molecular Properties

Compound Name4,4-difluoro-2,2-dimethyl-5-methylidenetridecan-3-ol
PubChem CID132603530
Molecular FormulaC16H30F2O
Molecular Weight276.41 g/mol
Exact Mass276.23
IUPAC Name4,4-difluoro-2,2-dimethyl-5-methylidenetridecan-3-ol
SMILESC=C(CCCCCCCC)C(F)(F)C(O)C(C)(C)C
InChIInChI=1S/C16H30F2O/c1-6-7-8-9-10-11-12-13(2)16(17,18)14(19)15(3,4)5/h14,19H,2,6-12H2,1,3-5H3
InChIKeyHUCJIVYPSPJNOU-UHFFFAOYSA-N
XLogP5.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.41
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-methylidenehenicosan-2-amine
CID 118467610
2-(trifluoromethylsulfanyl)oct-1-ene
CID 162411758
9,10-dimethyl-11-methylidene-10-octylnonadecane
CID 10916798
4-butyl-4-hexyl-2,2,6,6-tetramethylheptane-3,5-diol
CID 19375238
3-hydroxy-2,2-dimethylundecan-4-one
CID 103456168
6-methylidenedodecane
CID 21453027
henicos-1-en-2-ol
CID 90735098
6-methylidenetetradecane
CID 21477883
dec-1-en-2-yl(trimethyl)silane
CID 11665658
2-fluoro-2-methyldecan-3-one
CID 14645302
(1,3-dichloro-1,1,3,3-tetrafluoropropan-2-yl) dodecanoate
CID 154319228
2-methyltetradec-1-ene
CID 521375

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2,2-dimethyl-5-methylidenetridecan-3-ol?
The IUPAC name of 4,4-difluoro-2,2-dimethyl-5-methylidenetridecan-3-ol (CID 132603530) is 4,4-difluoro-2,2-dimethyl-5-methylidenetridecan-3-ol.
What is the SMILES notation for 4,4-difluoro-2,2-dimethyl-5-methylidenetridecan-3-ol?
The canonical SMILES for 4,4-difluoro-2,2-dimethyl-5-methylidenetridecan-3-ol is C=C(CCCCCCCC)C(F)(F)C(O)C(C)(C)C.
What is the InChIKey of 4,4-difluoro-2,2-dimethyl-5-methylidenetridecan-3-ol?
The InChIKey is HUCJIVYPSPJNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F2O/c1-6-7-8-9-10-11-12-13(2)16(17,18)14(19)15(3,4)5/h14,19H,2,6-12H2,1,3-5H3.
What are the key properties of 4,4-difluoro-2,2-dimethyl-5-methylidenetridecan-3-ol?
4,4-difluoro-2,2-dimethyl-5-methylidenetridecan-3-ol has a molecular weight of 276.41 g/mol, XLogP of 5.34, 9 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-dimethyl-5-methylidenetridecan-3-ol is sourced from PubChem (CID 132603530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).