(13R)-9,9-difluoro-13-methyl-oxacyclotetradecan-2-one

C14H24F2O2 — CID 132556996

IUPAC(13R)-9,9-difluoro-13-methyl-oxacyclotetradecan-2-one
SMILESC[C@@H]1CCCC(F)(F)CCCCCCC(=O)OC1
InChIInChI=1S/C14H24F2O2/c1-12-7-6-10-14(15,16)9-5-3-2-4-8-13(17)18-11-12/h12H,2-11H2,1H3/t12-/m1/s1
InChIKeyRGYPPBNSXQWVOS-GFCCVEGCSA-N
MW262.34 g/mol
LogP4.33
Rot. Bonds

About (13R)-9,9-difluoro-13-methyl-oxacyclotetradecan-2-one

(13R)-9,9-difluoro-13-methyl-oxacyclotetradecan-2-one (PubChem CID 132556996) has the molecular formula C14H24F2O2 and a molecular weight of 262.34 g/mol. Its IUPAC name is (13R)-9,9-difluoro-13-methyl-oxacyclotetradecan-2-one.

Molecular Properties

Compound Name(13R)-9,9-difluoro-13-methyl-oxacyclotetradecan-2-one
PubChem CID132556996
Molecular FormulaC14H24F2O2
Molecular Weight262.34 g/mol
Exact Mass262.17
IUPAC Name(13R)-9,9-difluoro-13-methyl-oxacyclotetradecan-2-one
SMILESC[C@@H]1CCCC(F)(F)CCCCCCC(=O)OC1
InChIInChI=1S/C14H24F2O2/c1-12-7-6-10-14(15,16)9-5-3-2-4-8-13(17)18-11-12/h12H,2-11H2,1H3/t12-/m1/s1
InChIKeyRGYPPBNSXQWVOS-GFCCVEGCSA-N
XLogP4.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6S)-6-methyloxepan-2-one
CID 14866717
35-methyl-1-oxacyclohexatriacont-28-en-2-one
CID 154573541
(23Z)-32-methyl-1-oxacyclotritriacont-23-en-2-one
CID 171118973
(25Z)-32-methyl-1-oxacyclotritriacont-25-en-2-one
CID 171118974
11,25,39-trimethyl-1,15,29-trioxacyclodotetracontane-2,16,30-trione
CID 18738133
(2R)-2-methyl-1,4-dioxacyclotetradecane-5,14-dione
CID 7075077
2-methyl-1,4-dioxacyclooctadecane-5,18-dione
CID 18006200
methane;5-methyloxan-2-one;4-methyloxolan-2-one
CID 160997869
(3R,6Z)-10,10-difluoro-3-methylcyclopentadec-6-en-1-one
CID 132579201
3,14-diethyl-1,12-dioxa-4,15-diazacyclodocosane-5,11,16,22-tetrone
CID 10387757
6-methyl-1,4-dioxacycloheptadecane-5,17-dione
CID 19702284
3,9-dioxabicyclo[9.2.2]pentadecane-4,8-dione
CID 69190780

Frequently Asked Questions

What is the IUPAC name of (13R)-9,9-difluoro-13-methyl-oxacyclotetradecan-2-one?
The IUPAC name of (13R)-9,9-difluoro-13-methyl-oxacyclotetradecan-2-one (CID 132556996) is (13R)-9,9-difluoro-13-methyl-oxacyclotetradecan-2-one.
What is the SMILES notation for (13R)-9,9-difluoro-13-methyl-oxacyclotetradecan-2-one?
The canonical SMILES for (13R)-9,9-difluoro-13-methyl-oxacyclotetradecan-2-one is C[C@@H]1CCCC(F)(F)CCCCCCC(=O)OC1.
What is the InChIKey of (13R)-9,9-difluoro-13-methyl-oxacyclotetradecan-2-one?
The InChIKey is RGYPPBNSXQWVOS-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24F2O2/c1-12-7-6-10-14(15,16)9-5-3-2-4-8-13(17)18-11-12/h12H,2-11H2,1H3/t12-/m1/s1.
What are the key properties of (13R)-9,9-difluoro-13-methyl-oxacyclotetradecan-2-one?
(13R)-9,9-difluoro-13-methyl-oxacyclotetradecan-2-one has a molecular weight of 262.34 g/mol, XLogP of 4.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (13R)-9,9-difluoro-13-methyl-oxacyclotetradecan-2-one is sourced from PubChem (CID 132556996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).