2-fluoro-2-propan-2-ylheptanamide

C10H20FNO — CID 139916526

IUPAC2-fluoro-2-propan-2-ylheptanamide
SMILESCCCCCC(F)(C(N)=O)C(C)C
InChIInChI=1S/C10H20FNO/c1-4-5-6-7-10(11,8(2)3)9(12)13/h8H,4-7H2,1-3H3,(H2,12,13)
InChIKeyYKTRNHKFQOTRGC-UHFFFAOYSA-N
MW189.27 g/mol
LogP2.42
Rot. Bonds6

About 2-fluoro-2-propan-2-ylheptanamide

2-fluoro-2-propan-2-ylheptanamide (PubChem CID 139916526) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 2-fluoro-2-propan-2-ylheptanamide.

Molecular Properties

Compound Name2-fluoro-2-propan-2-ylheptanamide
PubChem CID139916526
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name2-fluoro-2-propan-2-ylheptanamide
SMILESCCCCCC(F)(C(N)=O)C(C)C
InChIInChI=1S/C10H20FNO/c1-4-5-6-7-10(11,8(2)3)9(12)13/h8H,4-7H2,1-3H3,(H2,12,13)
InChIKeyYKTRNHKFQOTRGC-UHFFFAOYSA-N
XLogP2.42
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-2-propan-2-ylhexanamide
CID 54054711
2-fluoro-4-methyl-2-propan-2-ylhexanamide
CID 139916528
2,2-dimethylhexadecanamide
CID 23297438
2,2-dimethyldecanamide
CID 22596903
2-icosyl-2-pentyldocosanamide
CID 175538156
2-ethyl-2-pentylheptanamide
CID 87709137
2-fluoro-3-octyl-2-undecyltetradecanoic acid
CID 175533993
3,3-difluoro-2-methylnonane
CID 121443889
2,2-difluoroheptanoic acid
CID 14928309
3,3-difluoro-2-methylheptadecane
CID 22951834
2-(2-methyl-3-oxobutyl)-2-pentylpropanediamide
CID 3555606
2-amino-2-methyltetradecanamide
CID 175155192

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-propan-2-ylheptanamide?
The IUPAC name of 2-fluoro-2-propan-2-ylheptanamide (CID 139916526) is 2-fluoro-2-propan-2-ylheptanamide.
What is the SMILES notation for 2-fluoro-2-propan-2-ylheptanamide?
The canonical SMILES for 2-fluoro-2-propan-2-ylheptanamide is CCCCCC(F)(C(N)=O)C(C)C.
What is the InChIKey of 2-fluoro-2-propan-2-ylheptanamide?
The InChIKey is YKTRNHKFQOTRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-4-5-6-7-10(11,8(2)3)9(12)13/h8H,4-7H2,1-3H3,(H2,12,13).
What are the key properties of 2-fluoro-2-propan-2-ylheptanamide?
2-fluoro-2-propan-2-ylheptanamide has a molecular weight of 189.27 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-propan-2-ylheptanamide is sourced from PubChem (CID 139916526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).