1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrolidine

C10H8F13N — CID 54109001

IUPAC1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrolidine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)N1CCCC1
InChIInChI=1S/C10H8F13N/c11-5(12,7(15,16)9(19,20)21)6(13,14)8(17,18)10(22,23)24-3-1-2-4-24/h1-4H2
InChIKeyNFTCYEFHTJOCFO-UHFFFAOYSA-N
MW389.16 g/mol
LogP4.78
Rot. Bonds5

About 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrolidine

1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrolidine (PubChem CID 54109001) has the molecular formula C10H8F13N and a molecular weight of 389.16 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrolidine.

Molecular Properties

Compound Name1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrolidine
PubChem CID54109001
Molecular FormulaC10H8F13N
Molecular Weight389.16 g/mol
Exact Mass389.04
IUPAC Name1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrolidine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)N1CCCC1
InChIInChI=1S/C10H8F13N/c11-5(12,7(15,16)9(19,20)21)6(13,14)8(17,18)10(22,23)24-3-1-2-4-24/h1-4H2
InChIKeyNFTCYEFHTJOCFO-UHFFFAOYSA-N
XLogP4.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.16
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrole
CID 11728733
1-[3-(dichloromethoxy)-1,1,2,2,3,3-hexafluoropropyl]piperidine
CID 20579833
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane;hydrochloride
CID 172708323
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-piperidin-1-ylnonan-1-one
CID 3572182
1-(chloro-fluoro-piperidin-1-ylmethyl)piperidine
CID 140998804
(1,2,2,3,3,4,4,5,5,6,6,6-dodecafluoro-1-silylhexyl)silane
CID 173470739
CID 175811708
CID 175811708
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
CID 175814235
1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole
CID 91373212
1-[2-[difluoro(3,3,3-trifluoroprop-1-en-2-yloxy)methyl]-1,1,2,3,3,3-hexafluoropropyl]pyrrolidine
CID 138726115

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrolidine?
The IUPAC name of 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrolidine (CID 54109001) is 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrolidine.
What is the SMILES notation for 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrolidine?
The canonical SMILES for 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrolidine is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)N1CCCC1.
What is the InChIKey of 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrolidine?
The InChIKey is NFTCYEFHTJOCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F13N/c11-5(12,7(15,16)9(19,20)21)6(13,14)8(17,18)10(22,23)24-3-1-2-4-24/h1-4H2.
What are the key properties of 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrolidine?
1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrolidine has a molecular weight of 389.16 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrolidine is sourced from PubChem (CID 54109001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).