N-(5-methylhexyl)formamide;1,1,1-trifluoroethane

C10H20F3NO — CID 176554998

IUPACN-(5-methylhexyl)formamide;1,1,1-trifluoroethane
SMILESCC(C)CCCCNC=O.CC(F)(F)F
InChIInChI=1S/C8H17NO.C2H3F3/c1-8(2)5-3-4-6-9-7-10;1-2(3,4)5/h7-8H,3-6H2,1-2H3,(H,9,10);1H3
InChIKeySGSPQWOUCBBZAF-UHFFFAOYSA-N
MW227.27 g/mol
LogP3.13
Rot. Bonds6

About N-(5-methylhexyl)formamide;1,1,1-trifluoroethane

N-(5-methylhexyl)formamide;1,1,1-trifluoroethane (PubChem CID 176554998) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is N-(5-methylhexyl)formamide;1,1,1-trifluoroethane.

Molecular Properties

Compound NameN-(5-methylhexyl)formamide;1,1,1-trifluoroethane
PubChem CID176554998
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC NameN-(5-methylhexyl)formamide;1,1,1-trifluoroethane
SMILESCC(C)CCCCNC=O.CC(F)(F)F
InChIInChI=1S/C8H17NO.C2H3F3/c1-8(2)5-3-4-6-9-7-10;1-2(3,4)5/h7-8H,3-6H2,1-2H3,(H,9,10);1H3
InChIKeySGSPQWOUCBBZAF-UHFFFAOYSA-N
XLogP3.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexyl)formamide;1,1,1-trifluoroethane?
The IUPAC name of N-(5-methylhexyl)formamide;1,1,1-trifluoroethane (CID 176554998) is N-(5-methylhexyl)formamide;1,1,1-trifluoroethane.
What is the SMILES notation for N-(5-methylhexyl)formamide;1,1,1-trifluoroethane?
The canonical SMILES for N-(5-methylhexyl)formamide;1,1,1-trifluoroethane is CC(C)CCCCNC=O.CC(F)(F)F.
What is the InChIKey of N-(5-methylhexyl)formamide;1,1,1-trifluoroethane?
The InChIKey is SGSPQWOUCBBZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C2H3F3/c1-8(2)5-3-4-6-9-7-10;1-2(3,4)5/h7-8H,3-6H2,1-2H3,(H,9,10);1H3.
What are the key properties of N-(5-methylhexyl)formamide;1,1,1-trifluoroethane?
N-(5-methylhexyl)formamide;1,1,1-trifluoroethane has a molecular weight of 227.27 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexyl)formamide;1,1,1-trifluoroethane is sourced from PubChem (CID 176554998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).