fluoromethane;methyl (2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate;thiophene

C14H21F2NO2S — CID 177213248

IUPACfluoromethane;methyl (2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate;thiophene
SMILESCF.COC(=O)[C@@]12CCCN1C[C@@H](F)C2.c1ccsc1
InChIInChI=1S/C9H14FNO2.C4H4S.CH3F/c1-13-8(12)9-3-2-4-11(9)6-7(10)5-9;1-2-4-5-3-1;1-2/h7H,2-6H2,1H3;1-4H;1H3/t7-,9-;;/m0../s1
InChIKeyLRYQVCUVNWPWKE-VZIDAPDWSA-N
MW305.39 g/mol
LogP3.07
Rot. Bonds1

About fluoromethane;methyl (2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate;thiophene

fluoromethane;methyl (2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate;thiophene (PubChem CID 177213248) has the molecular formula C14H21F2NO2S and a molecular weight of 305.39 g/mol. Its IUPAC name is fluoromethane;methyl (2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate;thiophene.

Molecular Properties

Compound Namefluoromethane;methyl (2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate;thiophene
PubChem CID177213248
Molecular FormulaC14H21F2NO2S
Molecular Weight305.39 g/mol
Exact Mass305.13
IUPAC Namefluoromethane;methyl (2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate;thiophene
SMILESCF.COC(=O)[C@@]12CCCN1C[C@@H](F)C2.c1ccsc1
InChIInChI=1S/C9H14FNO2.C4H4S.CH3F/c1-13-8(12)9-3-2-4-11(9)6-7(10)5-9;1-2-4-5-3-1;1-2/h7H,2-6H2,1H3;1-4H;1H3/t7-,9-;;/m0../s1
InChIKeyLRYQVCUVNWPWKE-VZIDAPDWSA-N
XLogP3.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methanol;methyl (2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate;thiophene
CID 177213152
ethane;fluoromethane;methyl (8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate;thiophene
CID 177213270

Frequently Asked Questions

What is the IUPAC name of fluoromethane;methyl (2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate;thiophene?
The IUPAC name of fluoromethane;methyl (2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate;thiophene (CID 177213248) is fluoromethane;methyl (2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate;thiophene.
What is the SMILES notation for fluoromethane;methyl (2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate;thiophene?
The canonical SMILES for fluoromethane;methyl (2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate;thiophene is CF.COC(=O)[C@@]12CCCN1C[C@@H](F)C2.c1ccsc1.
What is the InChIKey of fluoromethane;methyl (2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate;thiophene?
The InChIKey is LRYQVCUVNWPWKE-VZIDAPDWSA-N. The full InChI is InChI=1S/C9H14FNO2.C4H4S.CH3F/c1-13-8(12)9-3-2-4-11(9)6-7(10)5-9;1-2-4-5-3-1;1-2/h7H,2-6H2,1H3;1-4H;1H3/t7-,9-;;/m0../s1.
What are the key properties of fluoromethane;methyl (2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate;thiophene?
fluoromethane;methyl (2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate;thiophene has a molecular weight of 305.39 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;methyl (2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate;thiophene is sourced from PubChem (CID 177213248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).