N-(3,3-difluoroprop-2-enyl)-N-methylhexanamide

C10H17F2NO — CID 20644846

IUPACN-(3,3-difluoroprop-2-enyl)-N-methylhexanamide
SMILESCCCCCC(=O)N(C)CC=C(F)F
InChIInChI=1S/C10H17F2NO/c1-3-4-5-6-10(14)13(2)8-7-9(11)12/h7H,3-6,8H2,1-2H3
InChIKeyNGOXDDSEDGFMGZ-UHFFFAOYSA-N
MW205.25 g/mol
LogP2.81
Rot. Bonds6

About N-(3,3-difluoroprop-2-enyl)-N-methylhexanamide

N-(3,3-difluoroprop-2-enyl)-N-methylhexanamide (PubChem CID 20644846) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is N-(3,3-difluoroprop-2-enyl)-N-methylhexanamide.

Molecular Properties

Compound NameN-(3,3-difluoroprop-2-enyl)-N-methylhexanamide
PubChem CID20644846
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC NameN-(3,3-difluoroprop-2-enyl)-N-methylhexanamide
SMILESCCCCCC(=O)N(C)CC=C(F)F
InChIInChI=1S/C10H17F2NO/c1-3-4-5-6-10(14)13(2)8-7-9(11)12/h7H,3-6,8H2,1-2H3
InChIKeyNGOXDDSEDGFMGZ-UHFFFAOYSA-N
XLogP2.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoroprop-2-enyl)-N-methylhexanamide?
The IUPAC name of N-(3,3-difluoroprop-2-enyl)-N-methylhexanamide (CID 20644846) is N-(3,3-difluoroprop-2-enyl)-N-methylhexanamide.
What is the SMILES notation for N-(3,3-difluoroprop-2-enyl)-N-methylhexanamide?
The canonical SMILES for N-(3,3-difluoroprop-2-enyl)-N-methylhexanamide is CCCCCC(=O)N(C)CC=C(F)F.
What is the InChIKey of N-(3,3-difluoroprop-2-enyl)-N-methylhexanamide?
The InChIKey is NGOXDDSEDGFMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-3-4-5-6-10(14)13(2)8-7-9(11)12/h7H,3-6,8H2,1-2H3.
What are the key properties of N-(3,3-difluoroprop-2-enyl)-N-methylhexanamide?
N-(3,3-difluoroprop-2-enyl)-N-methylhexanamide has a molecular weight of 205.25 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoroprop-2-enyl)-N-methylhexanamide is sourced from PubChem (CID 20644846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).