(3R)-3-(4,4-difluoro-3-oxooctyl)-2-methylcyclopentan-1-one

C14H22F2O2 — CID 129227984

IUPAC(3R)-3-(4,4-difluoro-3-oxooctyl)-2-methylcyclopentan-1-one
SMILESCCCCC(F)(F)C(=O)CC[C@H]1CCC(=O)C1C
InChIInChI=1S/C14H22F2O2/c1-3-4-9-14(15,16)13(18)8-6-11-5-7-12(17)10(11)2/h10-11H,3-9H2,1-2H3/t10?,11-/m1/s1
InChIKeyUKBQFCLXDDYBMJ-RRKGBCIJSA-N
MW260.32 g/mol
LogP3.78
Rot. Bonds7

About (3R)-3-(4,4-difluoro-3-oxooctyl)-2-methylcyclopentan-1-one

(3R)-3-(4,4-difluoro-3-oxooctyl)-2-methylcyclopentan-1-one (PubChem CID 129227984) has the molecular formula C14H22F2O2 and a molecular weight of 260.32 g/mol. Its IUPAC name is (3R)-3-(4,4-difluoro-3-oxooctyl)-2-methylcyclopentan-1-one.

Molecular Properties

Compound Name(3R)-3-(4,4-difluoro-3-oxooctyl)-2-methylcyclopentan-1-one
PubChem CID129227984
Molecular FormulaC14H22F2O2
Molecular Weight260.32 g/mol
Exact Mass260.16
IUPAC Name(3R)-3-(4,4-difluoro-3-oxooctyl)-2-methylcyclopentan-1-one
SMILESCCCCC(F)(F)C(=O)CC[C@H]1CCC(=O)C1C
InChIInChI=1S/C14H22F2O2/c1-3-4-9-14(15,16)13(18)8-6-11-5-7-12(17)10(11)2/h10-11H,3-9H2,1-2H3/t10?,11-/m1/s1
InChIKeyUKBQFCLXDDYBMJ-RRKGBCIJSA-N
XLogP3.78
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-[(1R,2R)-2-(4,4-difluoro-3-oxodecyl)-5-oxocyclopentyl]heptanoic acid
CID 11996442
7-[(2R)-2-(4,4-difluoro-3-oxononyl)-5-oxocyclopentyl]heptanoic acid
CID 154008029
trans-(2S,3R)-3-butyl-2-methylcyclopentan-1-one
CID 124509063
7-[(1R,2R)-2-(4,4-difluoro-3-oxooctyl)-5-oxocyclopentyl]hept-2-enoic acid
CID 71245729
propan-2-yl 7-[(1R,2R)-2-(4,4-difluoro-3-oxooctyl)-5-oxocyclopentyl]heptanoate
CID 11995733
CID 58749586
CID 58749586
5,5-difluorodecan-4-one
CID 137420614
methane;propan-2-yl 9-[(1R,2R,3R)-2-(4,4-difluoro-3-oxooctyl)-3-hydroxy-5-oxocyclopentyl]nonanoate;bis(propan-2-yl 9-[(1R,2S)-2-(4,4-difluoro-3-oxooctyl)-5-oxocyclopent-3-en-1-yl]nonanoate);propan-2-yl 9-[(1R,2R)-2-(4,4-difluoro-3-oxooctyl)-5-oxocyclopentyl]nonanoate
CID 160783039
3-(2-ethylhexyl)-2-methylcyclopentan-1-one
CID 64908527
ethane;(3S)-2-methyl-3-(3-oxodecyl)cyclopentan-1-one;propan-2-yl oct-6-enoate
CID 142057621
benzyl heptanoate;3-(4,4-difluoro-3-oxooctyl)cyclopentan-1-one;ethane;methanol
CID 143522935
(Z)-7-[(2R)-2-(4,4-difluoro-3-oxooctyl)-5-oxo-3-phosphanyloxycyclopentyl]hept-5-enoic acid
CID 59963482

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4,4-difluoro-3-oxooctyl)-2-methylcyclopentan-1-one?
The IUPAC name of (3R)-3-(4,4-difluoro-3-oxooctyl)-2-methylcyclopentan-1-one (CID 129227984) is (3R)-3-(4,4-difluoro-3-oxooctyl)-2-methylcyclopentan-1-one.
What is the SMILES notation for (3R)-3-(4,4-difluoro-3-oxooctyl)-2-methylcyclopentan-1-one?
The canonical SMILES for (3R)-3-(4,4-difluoro-3-oxooctyl)-2-methylcyclopentan-1-one is CCCCC(F)(F)C(=O)CC[C@H]1CCC(=O)C1C.
What is the InChIKey of (3R)-3-(4,4-difluoro-3-oxooctyl)-2-methylcyclopentan-1-one?
The InChIKey is UKBQFCLXDDYBMJ-RRKGBCIJSA-N. The full InChI is InChI=1S/C14H22F2O2/c1-3-4-9-14(15,16)13(18)8-6-11-5-7-12(17)10(11)2/h10-11H,3-9H2,1-2H3/t10?,11-/m1/s1.
What are the key properties of (3R)-3-(4,4-difluoro-3-oxooctyl)-2-methylcyclopentan-1-one?
(3R)-3-(4,4-difluoro-3-oxooctyl)-2-methylcyclopentan-1-one has a molecular weight of 260.32 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4,4-difluoro-3-oxooctyl)-2-methylcyclopentan-1-one is sourced from PubChem (CID 129227984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).