N-butan-2-yl-N-(difluoromethyl)formamide

C6H11F2NO — CID 87322123

IUPACN-butan-2-yl-N-(difluoromethyl)formamide
SMILESCCC(C)N(C=O)C(F)F
InChIInChI=1S/C6H11F2NO/c1-3-5(2)9(4-10)6(7)8/h4-6H,3H2,1-2H3
InChIKeyYWOOKFXGOHMSNB-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.47
Rot. Bonds4

About N-butan-2-yl-N-(difluoromethyl)formamide

N-butan-2-yl-N-(difluoromethyl)formamide (PubChem CID 87322123) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is N-butan-2-yl-N-(difluoromethyl)formamide.

Molecular Properties

Compound NameN-butan-2-yl-N-(difluoromethyl)formamide
PubChem CID87322123
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC NameN-butan-2-yl-N-(difluoromethyl)formamide
SMILESCCC(C)N(C=O)C(F)F
InChIInChI=1S/C6H11F2NO/c1-3-5(2)9(4-10)6(7)8/h4-6H,3H2,1-2H3
InChIKeyYWOOKFXGOHMSNB-UHFFFAOYSA-N
XLogP1.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-(difluoromethyl)formamide?
The IUPAC name of N-butan-2-yl-N-(difluoromethyl)formamide (CID 87322123) is N-butan-2-yl-N-(difluoromethyl)formamide.
What is the SMILES notation for N-butan-2-yl-N-(difluoromethyl)formamide?
The canonical SMILES for N-butan-2-yl-N-(difluoromethyl)formamide is CCC(C)N(C=O)C(F)F.
What is the InChIKey of N-butan-2-yl-N-(difluoromethyl)formamide?
The InChIKey is YWOOKFXGOHMSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c1-3-5(2)9(4-10)6(7)8/h4-6H,3H2,1-2H3.
What are the key properties of N-butan-2-yl-N-(difluoromethyl)formamide?
N-butan-2-yl-N-(difluoromethyl)formamide has a molecular weight of 151.16 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-(difluoromethyl)formamide is sourced from PubChem (CID 87322123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).