(2-fluorocyclopentyl) 2-methylprop-2-enoate

C9H13FO2 — CID 175110305

IUPAC(2-fluorocyclopentyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCCC1F
InChIInChI=1S/C9H13FO2/c1-6(2)9(11)12-8-5-3-4-7(8)10/h7-8H,1,3-5H2,2H3
InChIKeyYXGAOFLYZZMFFY-UHFFFAOYSA-N
MW172.20 g/mol
LogP2.00
Rot. Bonds2

About (2-fluorocyclopentyl) 2-methylprop-2-enoate

(2-fluorocyclopentyl) 2-methylprop-2-enoate (PubChem CID 175110305) has the molecular formula C9H13FO2 and a molecular weight of 172.20 g/mol. Its IUPAC name is (2-fluorocyclopentyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-fluorocyclopentyl) 2-methylprop-2-enoate
PubChem CID175110305
Molecular FormulaC9H13FO2
Molecular Weight172.20 g/mol
Exact Mass172.09
IUPAC Name(2-fluorocyclopentyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCCC1F
InChIInChI=1S/C9H13FO2/c1-6(2)9(11)12-8-5-3-4-7(8)10/h7-8H,1,3-5H2,2H3
InChIKeyYXGAOFLYZZMFFY-UHFFFAOYSA-N
XLogP2.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl 2-methylprop-2-enoate
CID 18400373
[(1S,2S)-2-fluorocyclohexyl] acetate
CID 45090703
[2-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate
CID 141230505
[3-(2-methylprop-2-enoyloxy)oxan-2-yl]methyl 2-methylprop-2-enoate
CID 129143087
[(1R)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-1-yl] 2-methylprop-2-enoate
CID 18448264
[(1S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl] 2-methylprop-2-enoate
CID 102408492
[(1R)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-1-yl] 2-methylprop-2-enoate
CID 18448252
[2-(ethylsulfonylamino)cyclopentyl] 2-methylprop-2-enoate
CID 58980529
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
[4-[4-(2-methylprop-2-enoyloxy)cyclohexyl]cycloheptyl] 2-methylprop-2-enoate
CID 126595758
[5-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2-methylprop-2-enoate
CID 167044480
cyclododecyl 2-methylprop-2-enoate;methane
CID 174824208

Frequently Asked Questions

What is the IUPAC name of (2-fluorocyclopentyl) 2-methylprop-2-enoate?
The IUPAC name of (2-fluorocyclopentyl) 2-methylprop-2-enoate (CID 175110305) is (2-fluorocyclopentyl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-fluorocyclopentyl) 2-methylprop-2-enoate?
The canonical SMILES for (2-fluorocyclopentyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1CCCC1F.
What is the InChIKey of (2-fluorocyclopentyl) 2-methylprop-2-enoate?
The InChIKey is YXGAOFLYZZMFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO2/c1-6(2)9(11)12-8-5-3-4-7(8)10/h7-8H,1,3-5H2,2H3.
What are the key properties of (2-fluorocyclopentyl) 2-methylprop-2-enoate?
(2-fluorocyclopentyl) 2-methylprop-2-enoate has a molecular weight of 172.20 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorocyclopentyl) 2-methylprop-2-enoate is sourced from PubChem (CID 175110305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).