3,3-difluoro-2-methyldecan-4-ol

C11H22F2O — CID 15783633

IUPAC3,3-difluoro-2-methyldecan-4-ol
SMILESCCCCCCC(O)C(F)(F)C(C)C
InChIInChI=1S/C11H22F2O/c1-4-5-6-7-8-10(14)11(12,13)9(2)3/h9-10,14H,4-8H2,1-3H3
InChIKeyNZPWITOIXIKLNN-UHFFFAOYSA-N
MW208.29 g/mol
LogP3.61
Rot. Bonds7

About 3,3-difluoro-2-methyldecan-4-ol

3,3-difluoro-2-methyldecan-4-ol (PubChem CID 15783633) has the molecular formula C11H22F2O and a molecular weight of 208.29 g/mol. Its IUPAC name is 3,3-difluoro-2-methyldecan-4-ol.

Molecular Properties

Compound Name3,3-difluoro-2-methyldecan-4-ol
PubChem CID15783633
Molecular FormulaC11H22F2O
Molecular Weight208.29 g/mol
Exact Mass208.16
IUPAC Name3,3-difluoro-2-methyldecan-4-ol
SMILESCCCCCCC(O)C(F)(F)C(C)C
InChIInChI=1S/C11H22F2O/c1-4-5-6-7-8-10(14)11(12,13)9(2)3/h9-10,14H,4-8H2,1-3H3
InChIKeyNZPWITOIXIKLNN-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 53.61
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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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-methyldecan-4-ol?
The IUPAC name of 3,3-difluoro-2-methyldecan-4-ol (CID 15783633) is 3,3-difluoro-2-methyldecan-4-ol.
What is the SMILES notation for 3,3-difluoro-2-methyldecan-4-ol?
The canonical SMILES for 3,3-difluoro-2-methyldecan-4-ol is CCCCCCC(O)C(F)(F)C(C)C.
What is the InChIKey of 3,3-difluoro-2-methyldecan-4-ol?
The InChIKey is NZPWITOIXIKLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2O/c1-4-5-6-7-8-10(14)11(12,13)9(2)3/h9-10,14H,4-8H2,1-3H3.
What are the key properties of 3,3-difluoro-2-methyldecan-4-ol?
3,3-difluoro-2-methyldecan-4-ol has a molecular weight of 208.29 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-methyldecan-4-ol is sourced from PubChem (CID 15783633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).