N-(2,2-difluorohexan-3-yl)formamide

C7H13F2NO — CID 143146643

IUPACN-(2,2-difluorohexan-3-yl)formamide
SMILESCCCC(NC=O)C(C)(F)F
InChIInChI=1S/C7H13F2NO/c1-3-4-6(10-5-11)7(2,8)9/h5-6H,3-4H2,1-2H3,(H,10,11)
InChIKeyBWUPYAVTGGHBBJ-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.56
Rot. Bonds5

About N-(2,2-difluorohexan-3-yl)formamide

N-(2,2-difluorohexan-3-yl)formamide (PubChem CID 143146643) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is N-(2,2-difluorohexan-3-yl)formamide.

Molecular Properties

Compound NameN-(2,2-difluorohexan-3-yl)formamide
PubChem CID143146643
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC NameN-(2,2-difluorohexan-3-yl)formamide
SMILESCCCC(NC=O)C(C)(F)F
InChIInChI=1S/C7H13F2NO/c1-3-4-6(10-5-11)7(2,8)9/h5-6H,3-4H2,1-2H3,(H,10,11)
InChIKeyBWUPYAVTGGHBBJ-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.56
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-(2,2-difluorohexan-3-yl)formamide?
The IUPAC name of N-(2,2-difluorohexan-3-yl)formamide (CID 143146643) is N-(2,2-difluorohexan-3-yl)formamide.
What is the SMILES notation for N-(2,2-difluorohexan-3-yl)formamide?
The canonical SMILES for N-(2,2-difluorohexan-3-yl)formamide is CCCC(NC=O)C(C)(F)F.
What is the InChIKey of N-(2,2-difluorohexan-3-yl)formamide?
The InChIKey is BWUPYAVTGGHBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-3-4-6(10-5-11)7(2,8)9/h5-6H,3-4H2,1-2H3,(H,10,11).
What are the key properties of N-(2,2-difluorohexan-3-yl)formamide?
N-(2,2-difluorohexan-3-yl)formamide has a molecular weight of 165.18 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluorohexan-3-yl)formamide is sourced from PubChem (CID 143146643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).