3,3-difluoro-2-methylheptadecane

C18H36F2 — CID 22951834

IUPAC3,3-difluoro-2-methylheptadecane
SMILESCCCCCCCCCCCCCCC(F)(F)C(C)C
InChIInChI=1S/C18H36F2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18(19,20)17(2)3/h17H,4-16H2,1-3H3
InChIKeyKGRCKSGPTKQNNB-UHFFFAOYSA-N
MW290.48 g/mol
LogP7.37
Rot. Bonds14

About 3,3-difluoro-2-methylheptadecane

3,3-difluoro-2-methylheptadecane (PubChem CID 22951834) has the molecular formula C18H36F2 and a molecular weight of 290.48 g/mol. Its IUPAC name is 3,3-difluoro-2-methylheptadecane.

Molecular Properties

Compound Name3,3-difluoro-2-methylheptadecane
PubChem CID22951834
Molecular FormulaC18H36F2
Molecular Weight290.48 g/mol
Exact Mass290.28
IUPAC Name3,3-difluoro-2-methylheptadecane
SMILESCCCCCCCCCCCCCCC(F)(F)C(C)C
InChIInChI=1S/C18H36F2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18(19,20)17(2)3/h17H,4-16H2,1-3H3
InChIKeyKGRCKSGPTKQNNB-UHFFFAOYSA-N
XLogP7.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.48
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,3-difluoro-2-methylnonane
CID 121443889
10,10-di(propan-2-yl)octacosane
CID 152510996
1,1,1-trifluorohexadecane
CID 15685316
2,3,3-trimethyloctadecane
CID 90966938
2,3-dimethyl-3-propan-2-yldodecane
CID 150435624
3,3-diethyl-2-methyldodecane
CID 151072312
(2-methyl-3-propan-2-ylnonan-3-yl)phosphane
CID 118892700
9-fluoropentacosan-9-ol
CID 139794548
1,1,1,2,2-pentafluorononadecane
CID 98452406
6-methyl-6-propan-2-ylundecane
CID 87930599
3-ethyl-2,3-dimethylnonane
CID 57490996
2-methyl-3-(2-methyl-3-propan-2-ylnonan-3-yl)oxy-3-propan-2-ylnonane
CID 122422564

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-methylheptadecane?
The IUPAC name of 3,3-difluoro-2-methylheptadecane (CID 22951834) is 3,3-difluoro-2-methylheptadecane.
What is the SMILES notation for 3,3-difluoro-2-methylheptadecane?
The canonical SMILES for 3,3-difluoro-2-methylheptadecane is CCCCCCCCCCCCCCC(F)(F)C(C)C.
What is the InChIKey of 3,3-difluoro-2-methylheptadecane?
The InChIKey is KGRCKSGPTKQNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36F2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18(19,20)17(2)3/h17H,4-16H2,1-3H3.
What are the key properties of 3,3-difluoro-2-methylheptadecane?
3,3-difluoro-2-methylheptadecane has a molecular weight of 290.48 g/mol, XLogP of 7.37, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-methylheptadecane is sourced from PubChem (CID 22951834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).