N-(2,2-difluoroethyl)formamide;pentane

C8H17F2NO — CID 143821144

IUPACN-(2,2-difluoroethyl)formamide;pentane
SMILESCCCCC.O=CNCC(F)F
InChIInChI=1S/C5H12.C3H5F2NO/c1-3-5-4-2;4-3(5)1-6-2-7/h3-5H2,1-2H3;2-3H,1H2,(H,6,7)
InChIKeyJMGUCIUQNLBJBB-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.19
Rot. Bonds5

About N-(2,2-difluoroethyl)formamide;pentane

N-(2,2-difluoroethyl)formamide;pentane (PubChem CID 143821144) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)formamide;pentane.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)formamide;pentane
PubChem CID143821144
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC NameN-(2,2-difluoroethyl)formamide;pentane
SMILESCCCCC.O=CNCC(F)F
InChIInChI=1S/C5H12.C3H5F2NO/c1-3-5-4-2;4-3(5)1-6-2-7/h3-5H2,1-2H3;2-3H,1H2,(H,6,7)
InChIKeyJMGUCIUQNLBJBB-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hexyldecyl)formamide
CID 54204817
N-(2-methylnonyl)formamide
CID 146433499
ethane;N-pentylformamide
CID 145350301
N-[2-(formamidomethyl)butyl]formamide
CID 59861734
N-tetracosylformamide
CID 54077607
N-pentacosylformamide
CID 88723962
N-(2-formamidopentyl)formamide
CID 174514121
N-(3-decoxy-2-ethoxypropyl)formamide
CID 156583393
N-(5-heptyltridecyl)formamide
CID 166649045
N-[3-(difluoromethoxy)propyl]formamide
CID 130901466
N-[2-(hydroxymethyl)butyl]formamide
CID 130241467
N-(pentoxymethyl)formamide
CID 174736393

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)formamide;pentane?
The IUPAC name of N-(2,2-difluoroethyl)formamide;pentane (CID 143821144) is N-(2,2-difluoroethyl)formamide;pentane.
What is the SMILES notation for N-(2,2-difluoroethyl)formamide;pentane?
The canonical SMILES for N-(2,2-difluoroethyl)formamide;pentane is CCCCC.O=CNCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)formamide;pentane?
The InChIKey is JMGUCIUQNLBJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C3H5F2NO/c1-3-5-4-2;4-3(5)1-6-2-7/h3-5H2,1-2H3;2-3H,1H2,(H,6,7).
What are the key properties of N-(2,2-difluoroethyl)formamide;pentane?
N-(2,2-difluoroethyl)formamide;pentane has a molecular weight of 181.23 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)formamide;pentane is sourced from PubChem (CID 143821144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).