1-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)pyrrolidine

C10H14F5N — CID 160565379

IUPAC1-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)pyrrolidine
SMILESCC(C)=C(N1CCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F5N/c1-7(2)8(16-5-3-4-6-16)9(11,12)10(13,14)15/h3-6H2,1-2H3
InChIKeyYBTHBOXGJHTQHW-UHFFFAOYSA-N
MW243.22 g/mol
LogP3.57
Rot. Bonds2

About 1-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)pyrrolidine

1-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)pyrrolidine (PubChem CID 160565379) has the molecular formula C10H14F5N and a molecular weight of 243.22 g/mol. Its IUPAC name is 1-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)pyrrolidine.

Molecular Properties

Compound Name1-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)pyrrolidine
PubChem CID160565379
Molecular FormulaC10H14F5N
Molecular Weight243.22 g/mol
Exact Mass243.10
IUPAC Name1-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)pyrrolidine
SMILESCC(C)=C(N1CCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F5N/c1-7(2)8(16-5-3-4-6-16)9(11,12)10(13,14)15/h3-6H2,1-2H3
InChIKeyYBTHBOXGJHTQHW-UHFFFAOYSA-N
XLogP3.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Pyrrolidinoperfluoro-2-methyl-2-pentene
CID 13196941
1-[1,1,1,2,3,5,5,5-Octafluoro-4-(trifluoromethyl)pent-3-en-2-yl]pyrrolidine
CID 13196945
N,N-diethyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-amine
CID 19761981
1-[4,4,4-Trifluoro-3-(trifluoromethyl)but-2-en-2-yl]pyrrolidine
CID 122595759
N,N-diethyl-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-amine
CID 132234556
1-[1,1,1-Trifluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyrrolidine
CID 132234557
3-Propan-2-ylidene-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 138507099
4,4-Difluoro-1-propan-2-yl-2-propan-2-ylidenepyrrolidine
CID 146244449
1,2,4-Trimethyl-5-(trifluoromethyl)-2,3-dihydropyrrole
CID 146392966
1-(1,1,1,2,4,4,5,5,5-Nonafluoropent-2-en-3-yl)pyrrolidine
CID 150483087
1-[(E)-2,4,4,5,5,5-hexafluoropent-2-en-3-yl]pyrrolidine
CID 153363768
(2Z)-2-but-3-en-2-ylidene-3,3-difluoro-1-methylpyrrolidine
CID 155055075

Frequently Asked Questions

What is the IUPAC name of 1-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)pyrrolidine?
The IUPAC name of 1-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)pyrrolidine (CID 160565379) is 1-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)pyrrolidine.
What is the SMILES notation for 1-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)pyrrolidine?
The canonical SMILES for 1-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)pyrrolidine is CC(C)=C(N1CCCC1)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)pyrrolidine?
The InChIKey is YBTHBOXGJHTQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F5N/c1-7(2)8(16-5-3-4-6-16)9(11,12)10(13,14)15/h3-6H2,1-2H3.
What are the key properties of 1-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)pyrrolidine?
1-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)pyrrolidine has a molecular weight of 243.22 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)pyrrolidine is sourced from PubChem (CID 160565379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).