(1R)-2-hexanoylcyclobutane-1-carbonyl fluoride

C11H17FO2 — CID 155467999

IUPAC(1R)-2-hexanoylcyclobutane-1-carbonyl fluoride
SMILESCCCCCC(=O)C1CC[C@H]1C(=O)F
InChIInChI=1S/C11H17FO2/c1-2-3-4-5-10(13)8-6-7-9(8)11(12)14/h8-9H,2-7H2,1H3/t8?,9-/m1/s1
InChIKeyOVNXUPLWCONCCW-YGPZHTELSA-N
MW200.25 g/mol
LogP2.66
Rot. Bonds6

About (1R)-2-hexanoylcyclobutane-1-carbonyl fluoride

(1R)-2-hexanoylcyclobutane-1-carbonyl fluoride (PubChem CID 155467999) has the molecular formula C11H17FO2 and a molecular weight of 200.25 g/mol. Its IUPAC name is (1R)-2-hexanoylcyclobutane-1-carbonyl fluoride.

Molecular Properties

Compound Name(1R)-2-hexanoylcyclobutane-1-carbonyl fluoride
PubChem CID155467999
Molecular FormulaC11H17FO2
Molecular Weight200.25 g/mol
Exact Mass200.12
IUPAC Name(1R)-2-hexanoylcyclobutane-1-carbonyl fluoride
SMILESCCCCCC(=O)C1CC[C@H]1C(=O)F
InChIInChI=1S/C11H17FO2/c1-2-3-4-5-10(13)8-6-7-9(8)11(12)14/h8-9H,2-7H2,1H3/t8?,9-/m1/s1
InChIKeyOVNXUPLWCONCCW-YGPZHTELSA-N
XLogP2.66
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylcyclopropyl)hexan-1-one
CID 65420379
1-[(1R,2R)-2-methylcyclopropyl]dodecan-1-one
CID 134964567
1-(2-methylcyclopentyl)hexan-1-one
CID 107186773
1-[(1S,2R)-2-tetradecylcyclopropyl]hexan-1-one
CID 101388120
1-(2-methylcyclopentyl)decan-1-one
CID 107186745
1-(2-methylcyclopentyl)heptan-1-one
CID 107186756
1-(2-aminocyclopentyl)heptan-1-one
CID 116580217
1-(2-aminocyclopentyl)octan-1-one
CID 116580099
1-(4-methylpyrrolidin-3-yl)decan-1-one
CID 116572424
1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]hexan-1-one
CID 102272291
1-cyclobutyldodecan-1-one
CID 115811550
1-[2-(aminomethyl)cyclohexyl]octan-1-one
CID 116584516

Frequently Asked Questions

What is the IUPAC name of (1R)-2-hexanoylcyclobutane-1-carbonyl fluoride?
The IUPAC name of (1R)-2-hexanoylcyclobutane-1-carbonyl fluoride (CID 155467999) is (1R)-2-hexanoylcyclobutane-1-carbonyl fluoride.
What is the SMILES notation for (1R)-2-hexanoylcyclobutane-1-carbonyl fluoride?
The canonical SMILES for (1R)-2-hexanoylcyclobutane-1-carbonyl fluoride is CCCCCC(=O)C1CC[C@H]1C(=O)F.
What is the InChIKey of (1R)-2-hexanoylcyclobutane-1-carbonyl fluoride?
The InChIKey is OVNXUPLWCONCCW-YGPZHTELSA-N. The full InChI is InChI=1S/C11H17FO2/c1-2-3-4-5-10(13)8-6-7-9(8)11(12)14/h8-9H,2-7H2,1H3/t8?,9-/m1/s1.
What are the key properties of (1R)-2-hexanoylcyclobutane-1-carbonyl fluoride?
(1R)-2-hexanoylcyclobutane-1-carbonyl fluoride has a molecular weight of 200.25 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-hexanoylcyclobutane-1-carbonyl fluoride is sourced from PubChem (CID 155467999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).