ethyl 3-fluoro-4-hydroxycyclopentane-1-carboxylate

C8H13FO3 — CID 130149438

IUPACethyl 3-fluoro-4-hydroxycyclopentane-1-carboxylate
SMILESCCOC(=O)C1CC(O)C(F)C1
InChIInChI=1S/C8H13FO3/c1-2-12-8(11)5-3-6(9)7(10)4-5/h5-7,10H,2-4H2,1H3
InChIKeyPHPKYVMNQYISJH-UHFFFAOYSA-N
MW176.19 g/mol
LogP0.66
Rot. Bonds2

About ethyl 3-fluoro-4-hydroxycyclopentane-1-carboxylate

ethyl 3-fluoro-4-hydroxycyclopentane-1-carboxylate (PubChem CID 130149438) has the molecular formula C8H13FO3 and a molecular weight of 176.19 g/mol. Its IUPAC name is ethyl 3-fluoro-4-hydroxycyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-fluoro-4-hydroxycyclopentane-1-carboxylate
PubChem CID130149438
Molecular FormulaC8H13FO3
Molecular Weight176.19 g/mol
Exact Mass176.08
IUPAC Nameethyl 3-fluoro-4-hydroxycyclopentane-1-carboxylate
SMILESCCOC(=O)C1CC(O)C(F)C1
InChIInChI=1S/C8H13FO3/c1-2-12-8(11)5-3-6(9)7(10)4-5/h5-7,10H,2-4H2,1H3
InChIKeyPHPKYVMNQYISJH-UHFFFAOYSA-N
XLogP0.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

rac-methyl 2-[(1R,3S)-3-hydroxycyclopentyl]acetate
CID 12258503
3-Hydroxycyclopentanecarboxylic acid
CID 15153193
(1S,3S)-3-Hydroxy-cyclopentanecarboxylic acid
CID 54492716
Cyclopentanecarboxylic acid, 3-hydroxy-, methyl ester
CID 520596
3-(Tert-butoxy)cyclopentane-1-carboxylic acid
CID 18952950
Ethyl 3-hydroxycyclopentanecarboxylate
CID 53407781
(1R,3S)-3-methoxycyclopentane-1-carboxylic acid
CID 55298805
(1S,3R)-3-Methoxycyclopentane-1-carboxylic acid
CID 70648251
rac-(3R,4R)-3-fluoro-4-hydroxycyclopentane-1-carboxylic acid
CID 137374362
(1S,3S,4S)-ethyl 3-fluoro-4-hydroxycyclopentanecarboxylate
CID 86626208
(1S,3R)-3-Hydroxycyclopentanecarboxylic acid
CID 45076184
(1R,3R)-3-hydroxycyclopentane-1-carboxylic acid
CID 56845841

Frequently Asked Questions

What is the IUPAC name of ethyl 3-fluoro-4-hydroxycyclopentane-1-carboxylate?
The IUPAC name of ethyl 3-fluoro-4-hydroxycyclopentane-1-carboxylate (CID 130149438) is ethyl 3-fluoro-4-hydroxycyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 3-fluoro-4-hydroxycyclopentane-1-carboxylate?
The canonical SMILES for ethyl 3-fluoro-4-hydroxycyclopentane-1-carboxylate is CCOC(=O)C1CC(O)C(F)C1.
What is the InChIKey of ethyl 3-fluoro-4-hydroxycyclopentane-1-carboxylate?
The InChIKey is PHPKYVMNQYISJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO3/c1-2-12-8(11)5-3-6(9)7(10)4-5/h5-7,10H,2-4H2,1H3.
What are the key properties of ethyl 3-fluoro-4-hydroxycyclopentane-1-carboxylate?
ethyl 3-fluoro-4-hydroxycyclopentane-1-carboxylate has a molecular weight of 176.19 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-fluoro-4-hydroxycyclopentane-1-carboxylate is sourced from PubChem (CID 130149438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).