N-(3,3,4,4,5,5,5-heptafluoropentyl)-N-methylformamide

C7H8F7NO — CID 174058660

IUPACN-(3,3,4,4,5,5,5-heptafluoropentyl)-N-methylformamide
SMILESCN(C=O)CCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F7NO/c1-15(4-16)3-2-5(8,9)6(10,11)7(12,13)14/h4H,2-3H2,1H3
InChIKeyDFEFWIFWXIPERS-UHFFFAOYSA-N
MW255.13 g/mol
LogP2.30
Rot. Bonds5

About N-(3,3,4,4,5,5,5-heptafluoropentyl)-N-methylformamide

N-(3,3,4,4,5,5,5-heptafluoropentyl)-N-methylformamide (PubChem CID 174058660) has the molecular formula C7H8F7NO and a molecular weight of 255.13 g/mol. Its IUPAC name is N-(3,3,4,4,5,5,5-heptafluoropentyl)-N-methylformamide.

Molecular Properties

Compound NameN-(3,3,4,4,5,5,5-heptafluoropentyl)-N-methylformamide
PubChem CID174058660
Molecular FormulaC7H8F7NO
Molecular Weight255.13 g/mol
Exact Mass255.05
IUPAC NameN-(3,3,4,4,5,5,5-heptafluoropentyl)-N-methylformamide
SMILESCN(C=O)CCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F7NO/c1-15(4-16)3-2-5(8,9)6(10,11)7(12,13)14/h4H,2-3H2,1H3
InChIKeyDFEFWIFWXIPERS-UHFFFAOYSA-N
XLogP2.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.13
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,4,4,5,5,5-heptafluoropentyl)-N-methylformamide?
The IUPAC name of N-(3,3,4,4,5,5,5-heptafluoropentyl)-N-methylformamide (CID 174058660) is N-(3,3,4,4,5,5,5-heptafluoropentyl)-N-methylformamide.
What is the SMILES notation for N-(3,3,4,4,5,5,5-heptafluoropentyl)-N-methylformamide?
The canonical SMILES for N-(3,3,4,4,5,5,5-heptafluoropentyl)-N-methylformamide is CN(C=O)CCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(3,3,4,4,5,5,5-heptafluoropentyl)-N-methylformamide?
The InChIKey is DFEFWIFWXIPERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F7NO/c1-15(4-16)3-2-5(8,9)6(10,11)7(12,13)14/h4H,2-3H2,1H3.
What are the key properties of N-(3,3,4,4,5,5,5-heptafluoropentyl)-N-methylformamide?
N-(3,3,4,4,5,5,5-heptafluoropentyl)-N-methylformamide has a molecular weight of 255.13 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,4,4,5,5,5-heptafluoropentyl)-N-methylformamide is sourced from PubChem (CID 174058660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).