1-(3,3,4,4,5,5,5-heptafluoropentyl)-2H-pyridine

C10H10F7N — CID 154629273

IUPAC1-(3,3,4,4,5,5,5-heptafluoropentyl)-2H-pyridine
SMILESFC(F)(F)C(F)(F)C(F)(F)CCN1C=CC=CC1
InChIInChI=1S/C10H10F7N/c11-8(12,9(13,14)10(15,16)17)4-7-18-5-2-1-3-6-18/h1-3,5H,4,6-7H2
InChIKeyKXIHOGIAHGAXEP-UHFFFAOYSA-N
MW277.18 g/mol
LogP3.59
Rot. Bonds4

About 1-(3,3,4,4,5,5,5-heptafluoropentyl)-2H-pyridine

1-(3,3,4,4,5,5,5-heptafluoropentyl)-2H-pyridine (PubChem CID 154629273) has the molecular formula C10H10F7N and a molecular weight of 277.18 g/mol. Its IUPAC name is 1-(3,3,4,4,5,5,5-heptafluoropentyl)-2H-pyridine.

Molecular Properties

Compound Name1-(3,3,4,4,5,5,5-heptafluoropentyl)-2H-pyridine
PubChem CID154629273
Molecular FormulaC10H10F7N
Molecular Weight277.18 g/mol
Exact Mass277.07
IUPAC Name1-(3,3,4,4,5,5,5-heptafluoropentyl)-2H-pyridine
SMILESFC(F)(F)C(F)(F)C(F)(F)CCN1C=CC=CC1
InChIInChI=1S/C10H10F7N/c11-8(12,9(13,14)10(15,16)17)4-7-18-5-2-1-3-6-18/h1-3,5H,4,6-7H2
InChIKeyKXIHOGIAHGAXEP-UHFFFAOYSA-N
XLogP3.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.18
LogP ≤ 53.59
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

1-(2,2,2-trifluoroethyl)-2H-pyridine
CID 90887733
1-(2,2-difluoroethyl)-2H-pyridine
CID 141104576
6-fluoro-1-(4,4,4-trifluorobutyl)-2H-pyridine
CID 141328098
1-ethyl-2H-pyridine;fluoroform
CID 160169384
1-ethyl-3-methyl-2H-pyridine;1,1,1,2,2,3,3-heptafluoropropane
CID 175338596
1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-2H-pyridine
CID 175919239
4,4-difluoro-1-[(2E)-penta-2,4-dienyl]piperidine
CID 177231911
1-(3,3-difluorocyclohexyl)-2-fluoro-2H-pyridine
CID 151221885
1-pentyl-2H-pyridine tetrafluoroborate
CID 158822398
hydron;1-pentyl-2H-pyridine;tetrafluoroborate
CID 174556295
fluoroform;1-hexyl-2H-pyridine
CID 174754977
1-pentyl-2H-pyridine;hydrofluoride
CID 174946018

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,4,4,5,5,5-heptafluoropentyl)-2H-pyridine?
The IUPAC name of 1-(3,3,4,4,5,5,5-heptafluoropentyl)-2H-pyridine (CID 154629273) is 1-(3,3,4,4,5,5,5-heptafluoropentyl)-2H-pyridine.
What is the SMILES notation for 1-(3,3,4,4,5,5,5-heptafluoropentyl)-2H-pyridine?
The canonical SMILES for 1-(3,3,4,4,5,5,5-heptafluoropentyl)-2H-pyridine is FC(F)(F)C(F)(F)C(F)(F)CCN1C=CC=CC1.
What is the InChIKey of 1-(3,3,4,4,5,5,5-heptafluoropentyl)-2H-pyridine?
The InChIKey is KXIHOGIAHGAXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F7N/c11-8(12,9(13,14)10(15,16)17)4-7-18-5-2-1-3-6-18/h1-3,5H,4,6-7H2.
What are the key properties of 1-(3,3,4,4,5,5,5-heptafluoropentyl)-2H-pyridine?
1-(3,3,4,4,5,5,5-heptafluoropentyl)-2H-pyridine has a molecular weight of 277.18 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,4,4,5,5,5-heptafluoropentyl)-2H-pyridine is sourced from PubChem (CID 154629273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).