(3R,6Z)-10,10-difluoro-3-methylcyclopentadec-6-en-1-one

C16H26F2O — CID 132579201

IUPAC(3R,6Z)-10,10-difluoro-3-methylcyclopentadec-6-en-1-one
SMILESC[C@@H]1CC/C=C\CCC(F)(F)CCCCCC(=O)C1
InChIInChI=1S/C16H26F2O/c1-14-9-5-2-3-7-11-16(17,18)12-8-4-6-10-15(19)13-14/h2-3,14H,4-13H2,1H3/b3-2-/t14-/m1/s1
InChIKeyWGDPOTDLYWPQFY-PYLYLYNFSA-N
MW272.38 g/mol
LogP5.30
Rot. Bonds

About (3R,6Z)-10,10-difluoro-3-methylcyclopentadec-6-en-1-one

(3R,6Z)-10,10-difluoro-3-methylcyclopentadec-6-en-1-one (PubChem CID 132579201) has the molecular formula C16H26F2O and a molecular weight of 272.38 g/mol. Its IUPAC name is (3R,6Z)-10,10-difluoro-3-methylcyclopentadec-6-en-1-one.

Molecular Properties

Compound Name(3R,6Z)-10,10-difluoro-3-methylcyclopentadec-6-en-1-one
PubChem CID132579201
Molecular FormulaC16H26F2O
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name(3R,6Z)-10,10-difluoro-3-methylcyclopentadec-6-en-1-one
SMILESC[C@@H]1CC/C=C\CCC(F)(F)CCCCCC(=O)C1
InChIInChI=1S/C16H26F2O/c1-14-9-5-2-3-7-11-16(17,18)12-8-4-6-10-15(19)13-14/h2-3,14H,4-13H2,1H3/b3-2-/t14-/m1/s1
InChIKeyWGDPOTDLYWPQFY-PYLYLYNFSA-N
XLogP5.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.38
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3R,6Z)-10,10-difluoro-3-methylcyclopentadec-6-en-1-one with MolForge

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Related Compounds

(3R)-3-methylcyclopentadec-6-en-1-one
CID 71167606
3-methylcyclooctan-1-one
CID 12892221
3-methylcycloheptan-1-one
CID 534955
3-methylcyclopentadecane-1,5-dione
CID 11184330
3-(113C)methylcyclohexan-1-one
CID 11708054
(13R)-9,9-difluoro-13-methyl-oxacyclotetradecan-2-one
CID 132556996
ethane;3-methylcyclopentan-1-one
CID 142926670
5,5-difluorocycloheptene;ethane
CID 178087768
5,5-difluorocyclooctan-1-one
CID 139801373
3-methylcyclohexan-1-one;2-methylcyclopentan-1-one
CID 69228186
(6Z)-4-methylcyclotetradec-6-en-1-one;molecular iodine
CID 159602893
cycloheptanone;cyclohexanone;cyclooctanone;cyclopentanone;3-ethylcyclopentan-1-one;3-methylcyclopentan-1-one
CID 158392775

Frequently Asked Questions

What is the IUPAC name of (3R,6Z)-10,10-difluoro-3-methylcyclopentadec-6-en-1-one?
The IUPAC name of (3R,6Z)-10,10-difluoro-3-methylcyclopentadec-6-en-1-one (CID 132579201) is (3R,6Z)-10,10-difluoro-3-methylcyclopentadec-6-en-1-one.
What is the SMILES notation for (3R,6Z)-10,10-difluoro-3-methylcyclopentadec-6-en-1-one?
The canonical SMILES for (3R,6Z)-10,10-difluoro-3-methylcyclopentadec-6-en-1-one is C[C@@H]1CC/C=C\CCC(F)(F)CCCCCC(=O)C1.
What is the InChIKey of (3R,6Z)-10,10-difluoro-3-methylcyclopentadec-6-en-1-one?
The InChIKey is WGDPOTDLYWPQFY-PYLYLYNFSA-N. The full InChI is InChI=1S/C16H26F2O/c1-14-9-5-2-3-7-11-16(17,18)12-8-4-6-10-15(19)13-14/h2-3,14H,4-13H2,1H3/b3-2-/t14-/m1/s1.
What are the key properties of (3R,6Z)-10,10-difluoro-3-methylcyclopentadec-6-en-1-one?
(3R,6Z)-10,10-difluoro-3-methylcyclopentadec-6-en-1-one has a molecular weight of 272.38 g/mol, XLogP of 5.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6Z)-10,10-difluoro-3-methylcyclopentadec-6-en-1-one is sourced from PubChem (CID 132579201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).