(4R)-7-(azetidin-1-yl)-4-fluoro-2,2-dimethylheptan-3-one

C12H22FNO — CID 146214051

IUPAC(4R)-7-(azetidin-1-yl)-4-fluoro-2,2-dimethylheptan-3-one
SMILESCC(C)(C)C(=O)[C@H](F)CCCN1CCC1
InChIInChI=1S/C12H22FNO/c1-12(2,3)11(15)10(13)6-4-7-14-8-5-9-14/h10H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyMIYDFSMSSAUJJC-SNVBAGLBSA-N
MW215.31 g/mol
LogP2.43
Rot. Bonds5

About (4R)-7-(azetidin-1-yl)-4-fluoro-2,2-dimethylheptan-3-one

(4R)-7-(azetidin-1-yl)-4-fluoro-2,2-dimethylheptan-3-one (PubChem CID 146214051) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is (4R)-7-(azetidin-1-yl)-4-fluoro-2,2-dimethylheptan-3-one.

Molecular Properties

Compound Name(4R)-7-(azetidin-1-yl)-4-fluoro-2,2-dimethylheptan-3-one
PubChem CID146214051
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name(4R)-7-(azetidin-1-yl)-4-fluoro-2,2-dimethylheptan-3-one
SMILESCC(C)(C)C(=O)[C@H](F)CCCN1CCC1
InChIInChI=1S/C12H22FNO/c1-12(2,3)11(15)10(13)6-4-7-14-8-5-9-14/h10H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyMIYDFSMSSAUJJC-SNVBAGLBSA-N
XLogP2.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-(tert-butylamino)-2,2-dimethyl-7-morpholin-4-ylheptan-3-one
CID 176762057
2-methyl-5-pyrrolidin-1-ylpentanoic acid
CID 104686947
5-(azepan-1-yl)-2-methylpentanoic acid
CID 104686956
(2-fluoro-4,4-dimethyl-3-oxopentyl)sulfanium
CID 176697763
1-butylpyrrolidine;2,2-dimethylpropanamide;molecular hydrogen
CID 142890375
2-amino-5-pyrrolidin-1-ylpentanamide
CID 64990875
2-(1-methylcyclobutyl)-5-piperidin-1-ylpentanamide
CID 129204889
diethyl 2-(3-piperidin-1-ylpropyl)butanedioate
CID 90300751
1-(4-fluorobutyl)azetidine
CID 89149254
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyrrolidin-1-ylpentanoic acid
CID 146596654
2-amino-5-piperidin-1-ylpentanamide
CID 89453537
2,2-dimethyl-6-piperidin-1-ylhexanoic acid
CID 106713861

Frequently Asked Questions

What is the IUPAC name of (4R)-7-(azetidin-1-yl)-4-fluoro-2,2-dimethylheptan-3-one?
The IUPAC name of (4R)-7-(azetidin-1-yl)-4-fluoro-2,2-dimethylheptan-3-one (CID 146214051) is (4R)-7-(azetidin-1-yl)-4-fluoro-2,2-dimethylheptan-3-one.
What is the SMILES notation for (4R)-7-(azetidin-1-yl)-4-fluoro-2,2-dimethylheptan-3-one?
The canonical SMILES for (4R)-7-(azetidin-1-yl)-4-fluoro-2,2-dimethylheptan-3-one is CC(C)(C)C(=O)[C@H](F)CCCN1CCC1.
What is the InChIKey of (4R)-7-(azetidin-1-yl)-4-fluoro-2,2-dimethylheptan-3-one?
The InChIKey is MIYDFSMSSAUJJC-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22FNO/c1-12(2,3)11(15)10(13)6-4-7-14-8-5-9-14/h10H,4-9H2,1-3H3/t10-/m1/s1.
What are the key properties of (4R)-7-(azetidin-1-yl)-4-fluoro-2,2-dimethylheptan-3-one?
(4R)-7-(azetidin-1-yl)-4-fluoro-2,2-dimethylheptan-3-one has a molecular weight of 215.31 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-(azetidin-1-yl)-4-fluoro-2,2-dimethylheptan-3-one is sourced from PubChem (CID 146214051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).