fluoromethane;1-(1,1,3,3-tetrafluoroprop-2-enyl)pyrrolidine

C8H12F5N — CID 145335478

IUPACfluoromethane;1-(1,1,3,3-tetrafluoroprop-2-enyl)pyrrolidine
SMILESCF.FC(F)=CC(F)(F)N1CCCC1
InChIInChI=1S/C7H9F4N.CH3F/c8-6(9)5-7(10,11)12-3-1-2-4-12;1-2/h5H,1-4H2;1H3
InChIKeyOODCMLCNGMDECO-UHFFFAOYSA-N
MW217.18 g/mol
LogP3.04
Rot. Bonds2

About fluoromethane;1-(1,1,3,3-tetrafluoroprop-2-enyl)pyrrolidine

fluoromethane;1-(1,1,3,3-tetrafluoroprop-2-enyl)pyrrolidine (PubChem CID 145335478) has the molecular formula C8H12F5N and a molecular weight of 217.18 g/mol. Its IUPAC name is fluoromethane;1-(1,1,3,3-tetrafluoroprop-2-enyl)pyrrolidine.

Molecular Properties

Compound Namefluoromethane;1-(1,1,3,3-tetrafluoroprop-2-enyl)pyrrolidine
PubChem CID145335478
Molecular FormulaC8H12F5N
Molecular Weight217.18 g/mol
Exact Mass217.09
IUPAC Namefluoromethane;1-(1,1,3,3-tetrafluoroprop-2-enyl)pyrrolidine
SMILESCF.FC(F)=CC(F)(F)N1CCCC1
InChIInChI=1S/C7H9F4N.CH3F/c8-6(9)5-7(10,11)12-3-1-2-4-12;1-2/h5H,1-4H2;1H3
InChIKeyOODCMLCNGMDECO-UHFFFAOYSA-N
XLogP3.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3,3,4,4-Tetrafluoro-1-prop-2-enylpyrrolidine
CID 58361966
1-Butyl-2,2,3,3,4,4,5,5-octafluoro-1-methylpyrrolidin-1-ium
CID 87423736
1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]pyrrolidine
CID 124113907
1-(1,1,1,2,3-Pentafluorobut-3-en-2-yl)pyrrolidine
CID 129207494
1-(1,1,2-Trifluoroprop-2-enyl)pyrrolidine
CID 129207502
1-[1,1-Difluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine
CID 129207505
1-[1-Fluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine
CID 129207795
1-(1,1,2,3,3-Pentafluoroprop-2-enyl)pyrrolidine
CID 129271429
1-[1,1,3,3-Tetrafluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine
CID 129271752
1-[1,3,3-Trifluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine
CID 140940164
1-(1,1,2,2,3-Pentafluorobut-3-enyl)pyrrolidine
CID 153618295
1-Methyl-1-(2,2,3,3,3-pentafluoropropyl)pyrrolidin-1-ium
CID 156497211

Frequently Asked Questions

What is the IUPAC name of fluoromethane;1-(1,1,3,3-tetrafluoroprop-2-enyl)pyrrolidine?
The IUPAC name of fluoromethane;1-(1,1,3,3-tetrafluoroprop-2-enyl)pyrrolidine (CID 145335478) is fluoromethane;1-(1,1,3,3-tetrafluoroprop-2-enyl)pyrrolidine.
What is the SMILES notation for fluoromethane;1-(1,1,3,3-tetrafluoroprop-2-enyl)pyrrolidine?
The canonical SMILES for fluoromethane;1-(1,1,3,3-tetrafluoroprop-2-enyl)pyrrolidine is CF.FC(F)=CC(F)(F)N1CCCC1.
What is the InChIKey of fluoromethane;1-(1,1,3,3-tetrafluoroprop-2-enyl)pyrrolidine?
The InChIKey is OODCMLCNGMDECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F4N.CH3F/c8-6(9)5-7(10,11)12-3-1-2-4-12;1-2/h5H,1-4H2;1H3.
What are the key properties of fluoromethane;1-(1,1,3,3-tetrafluoroprop-2-enyl)pyrrolidine?
fluoromethane;1-(1,1,3,3-tetrafluoroprop-2-enyl)pyrrolidine has a molecular weight of 217.18 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;1-(1,1,3,3-tetrafluoroprop-2-enyl)pyrrolidine is sourced from PubChem (CID 145335478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).