N-(6,6,6-trifluoro-3-methylhexan-3-yl)formamide

C8H14F3NO — CID 144953593

IUPACN-(6,6,6-trifluoro-3-methylhexan-3-yl)formamide
SMILESCCC(C)(CCC(F)(F)F)NC=O
InChIInChI=1S/C8H14F3NO/c1-3-7(2,12-6-13)4-5-8(9,10)11/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyPDYLZELSFWTNTR-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.24
Rot. Bonds5

About N-(6,6,6-trifluoro-3-methylhexan-3-yl)formamide

N-(6,6,6-trifluoro-3-methylhexan-3-yl)formamide (PubChem CID 144953593) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is N-(6,6,6-trifluoro-3-methylhexan-3-yl)formamide.

Molecular Properties

Compound NameN-(6,6,6-trifluoro-3-methylhexan-3-yl)formamide
PubChem CID144953593
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC NameN-(6,6,6-trifluoro-3-methylhexan-3-yl)formamide
SMILESCCC(C)(CCC(F)(F)F)NC=O
InChIInChI=1S/C8H14F3NO/c1-3-7(2,12-6-13)4-5-8(9,10)11/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyPDYLZELSFWTNTR-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6,6,6-trifluoro-3-methylhexan-3-yl)formamide?
The IUPAC name of N-(6,6,6-trifluoro-3-methylhexan-3-yl)formamide (CID 144953593) is N-(6,6,6-trifluoro-3-methylhexan-3-yl)formamide.
What is the SMILES notation for N-(6,6,6-trifluoro-3-methylhexan-3-yl)formamide?
The canonical SMILES for N-(6,6,6-trifluoro-3-methylhexan-3-yl)formamide is CCC(C)(CCC(F)(F)F)NC=O.
What is the InChIKey of N-(6,6,6-trifluoro-3-methylhexan-3-yl)formamide?
The InChIKey is PDYLZELSFWTNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-3-7(2,12-6-13)4-5-8(9,10)11/h6H,3-5H2,1-2H3,(H,12,13).
What are the key properties of N-(6,6,6-trifluoro-3-methylhexan-3-yl)formamide?
N-(6,6,6-trifluoro-3-methylhexan-3-yl)formamide has a molecular weight of 197.20 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,6,6-trifluoro-3-methylhexan-3-yl)formamide is sourced from PubChem (CID 144953593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).