N-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylformamide

C6H6F7NO — CID 54251533

IUPACN-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylformamide
SMILESCN(C=O)CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F7NO/c1-14(3-15)2-4(7,8)5(9,10)6(11,12)13/h3H,2H2,1H3
InChIKeyUCWHJQIVRIVZDC-UHFFFAOYSA-N
MW241.11 g/mol
LogP1.91
Rot. Bonds4

About N-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylformamide

N-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylformamide (PubChem CID 54251533) has the molecular formula C6H6F7NO and a molecular weight of 241.11 g/mol. Its IUPAC name is N-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylformamide.

Molecular Properties

Compound NameN-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylformamide
PubChem CID54251533
Molecular FormulaC6H6F7NO
Molecular Weight241.11 g/mol
Exact Mass241.03
IUPAC NameN-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylformamide
SMILESCN(C=O)CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F7NO/c1-14(3-15)2-4(7,8)5(9,10)6(11,12)13/h3H,2H2,1H3
InChIKeyUCWHJQIVRIVZDC-UHFFFAOYSA-N
XLogP1.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.11
LogP ≤ 51.91
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-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylformamide?
The IUPAC name of N-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylformamide (CID 54251533) is N-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylformamide.
What is the SMILES notation for N-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylformamide?
The canonical SMILES for N-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylformamide is CN(C=O)CC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylformamide?
The InChIKey is UCWHJQIVRIVZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F7NO/c1-14(3-15)2-4(7,8)5(9,10)6(11,12)13/h3H,2H2,1H3.
What are the key properties of N-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylformamide?
N-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylformamide has a molecular weight of 241.11 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylformamide is sourced from PubChem (CID 54251533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).