(2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropentan-3-one

C10H17FO3 — CID 135010323

IUPAC(2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropentan-3-one
SMILESCCC(=O)[C@H](F)C[C@H]1COC(C)(C)O1
InChIInChI=1S/C10H17FO3/c1-4-9(12)8(11)5-7-6-13-10(2,3)14-7/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyIZQYPIGNZZCUDD-JGVFFNPUSA-N
MW204.24 g/mol
LogP1.85
Rot. Bonds4

About (2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropentan-3-one

(2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropentan-3-one (PubChem CID 135010323) has the molecular formula C10H17FO3 and a molecular weight of 204.24 g/mol. Its IUPAC name is (2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropentan-3-one.

Molecular Properties

Compound Name(2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropentan-3-one
PubChem CID135010323
Molecular FormulaC10H17FO3
Molecular Weight204.24 g/mol
Exact Mass204.12
IUPAC Name(2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropentan-3-one
SMILESCCC(=O)[C@H](F)C[C@H]1COC(C)(C)O1
InChIInChI=1S/C10H17FO3/c1-4-9(12)8(11)5-7-6-13-10(2,3)14-7/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyIZQYPIGNZZCUDD-JGVFFNPUSA-N
XLogP1.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]propanedioate
CID 75090382
1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-ol
CID 57409905
(2S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)butane-2-sulfonic acid
CID 174649690
2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]acetic acid
CID 14141015
1,3-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propane-1,2-diol
CID 20700280
(3S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpentan-2-one
CID 53392738
(4R)-2,2-dimethyl-4-propyl-1,3-dioxolane
CID 59344944
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2,3,3-tetrafluoropropanamide
CID 113264633
4-hexyl-2,2-dimethyl-1,3-dioxolane
CID 11275466
4-decyl-2,2-dimethyl-1,3-dioxolane
CID 71411741
(3R,4S,5R)-4-butan-2-yloxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-5-methylhexan-2-one
CID 135012655

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropentan-3-one?
The IUPAC name of (2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropentan-3-one (CID 135010323) is (2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropentan-3-one.
What is the SMILES notation for (2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropentan-3-one?
The canonical SMILES for (2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropentan-3-one is CCC(=O)[C@H](F)C[C@H]1COC(C)(C)O1.
What is the InChIKey of (2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropentan-3-one?
The InChIKey is IZQYPIGNZZCUDD-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H17FO3/c1-4-9(12)8(11)5-7-6-13-10(2,3)14-7/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of (2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropentan-3-one?
(2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropentan-3-one has a molecular weight of 204.24 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropentan-3-one is sourced from PubChem (CID 135010323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).