trans-methyl (1S,3S)-3-fluorocyclopentane-1-carboxylate

C7H11FO2 — CID 129418708

IUPACtrans-methyl (1S,3S)-3-fluorocyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1CC[C@H](F)C1
InChIInChI=1S/C7H11FO2/c1-10-7(9)5-2-3-6(8)4-5/h5-6H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyZYRURXXPYRQMTJ-WDSKDSINSA-N
MW146.16 g/mol
LogP1.30
Rot. Bonds1

About trans-methyl (1S,3S)-3-fluorocyclopentane-1-carboxylate

trans-methyl (1S,3S)-3-fluorocyclopentane-1-carboxylate (PubChem CID 129418708) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is trans-methyl (1S,3S)-3-fluorocyclopentane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1S,3S)-3-fluorocyclopentane-1-carboxylate
PubChem CID129418708
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Nametrans-methyl (1S,3S)-3-fluorocyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1CC[C@H](F)C1
InChIInChI=1S/C7H11FO2/c1-10-7(9)5-2-3-6(8)4-5/h5-6H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyZYRURXXPYRQMTJ-WDSKDSINSA-N
XLogP1.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-fluorocyclohexane-1-carboxylate
CID 21281592
cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
CID 642990
trimethyl (1R,2R,4R)-cyclohexane-1,2,4-tricarboxylate
CID 12616208
methyl (1R,3S,4R)-4-amino-3-fluorocyclohexane-1-carboxylate
CID 122679276
cis-(1S,3R)-3-methoxycarbonylcyclopentane-1-carboxylic acid
CID 10888375
methyl (1R)-3-hydroxycyclopentane-1-carboxylate
CID 90130718
cis-methyl (1S,3R)-3-hydroxycyclopentane-1-carboxylate
CID 58928079
cis-methyl (1S,3R)-3-(methylamino)cyclopentane-1-carboxylate
CID 90378778
trans-dimethyl (1R,3R)-cyclohexane-1,3-dicarboxylate
CID 83819230
cis-methyl (1R,3S)-3-ethylcyclopentane-1-carboxylate
CID 129368474
4-methoxycarbonylcyclohexane-1,2-dicarboxylic acid
CID 23443945
trans-methyl (1S,3S)-3-(1,1-difluoroethyl)cyclopentane-1-carboxylate
CID 176508986

Frequently Asked Questions

What is the IUPAC name of trans-methyl (1S,3S)-3-fluorocyclopentane-1-carboxylate?
The IUPAC name of trans-methyl (1S,3S)-3-fluorocyclopentane-1-carboxylate (CID 129418708) is trans-methyl (1S,3S)-3-fluorocyclopentane-1-carboxylate.
What is the SMILES notation for trans-methyl (1S,3S)-3-fluorocyclopentane-1-carboxylate?
The canonical SMILES for trans-methyl (1S,3S)-3-fluorocyclopentane-1-carboxylate is COC(=O)[C@H]1CC[C@H](F)C1.
What is the InChIKey of trans-methyl (1S,3S)-3-fluorocyclopentane-1-carboxylate?
The InChIKey is ZYRURXXPYRQMTJ-WDSKDSINSA-N. The full InChI is InChI=1S/C7H11FO2/c1-10-7(9)5-2-3-6(8)4-5/h5-6H,2-4H2,1H3/t5-,6-/m0/s1.
What are the key properties of trans-methyl (1S,3S)-3-fluorocyclopentane-1-carboxylate?
trans-methyl (1S,3S)-3-fluorocyclopentane-1-carboxylate has a molecular weight of 146.16 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1S,3S)-3-fluorocyclopentane-1-carboxylate is sourced from PubChem (CID 129418708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).