N-fluoro-2,3,3,6-tetramethyl-N-propan-2-ylheptanamide

C14H28FNO — CID 166927362

IUPACN-fluoro-2,3,3,6-tetramethyl-N-propan-2-ylheptanamide
SMILESCC(C)CCC(C)(C)C(C)C(=O)N(F)C(C)C
InChIInChI=1S/C14H28FNO/c1-10(2)8-9-14(6,7)12(5)13(17)16(15)11(3)4/h10-12H,8-9H2,1-7H3
InChIKeyXBTASNDHJSUZPW-UHFFFAOYSA-N
MW245.38 g/mol
LogP4.21
Rot. Bonds6

About N-fluoro-2,3,3,6-tetramethyl-N-propan-2-ylheptanamide

N-fluoro-2,3,3,6-tetramethyl-N-propan-2-ylheptanamide (PubChem CID 166927362) has the molecular formula C14H28FNO and a molecular weight of 245.38 g/mol. Its IUPAC name is N-fluoro-2,3,3,6-tetramethyl-N-propan-2-ylheptanamide.

Molecular Properties

Compound NameN-fluoro-2,3,3,6-tetramethyl-N-propan-2-ylheptanamide
PubChem CID166927362
Molecular FormulaC14H28FNO
Molecular Weight245.38 g/mol
Exact Mass245.22
IUPAC NameN-fluoro-2,3,3,6-tetramethyl-N-propan-2-ylheptanamide
SMILESCC(C)CCC(C)(C)C(C)C(=O)N(F)C(C)C
InChIInChI=1S/C14H28FNO/c1-10(2)8-9-14(6,7)12(5)13(17)16(15)11(3)4/h10-12H,8-9H2,1-7H3
InChIKeyXBTASNDHJSUZPW-UHFFFAOYSA-N
XLogP4.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3,6-trimethylheptan-2-one
CID 55274452
2-ethyl-2,5-dimethylhexanoic acid;λ2-stannane
CID 173040977
4-fluoro-4,7-dimethyloctan-3-one
CID 176990055
cobalt(2+);bis(2-ethyl-2,5-dimethylhexanoate)
CID 22833328
2,5,8-trimethylnonan-5-ol
CID 58574498
2-hydroxy-2,5-dimethylhexanamide
CID 62224009
2,2,5-trimethylhexanoyl 2,2,5-trimethylhexaneperoxoate
CID 21248465
2,5,5,6-tetramethyloctane
CID 53424276
3-(2-aminopropan-2-yl)-3,6-dimethylheptanoic acid
CID 66089083
ethyl 2,2-difluoro-3-hydroxy-3,6-dimethylheptanoate
CID 62398779
1,1-difluoro-2,5-dimethylhexan-2-ol
CID 80605590
tert-butyl 3-hydroxy-2,3,6-trimethylheptanoate
CID 66338731

Frequently Asked Questions

What is the IUPAC name of N-fluoro-2,3,3,6-tetramethyl-N-propan-2-ylheptanamide?
The IUPAC name of N-fluoro-2,3,3,6-tetramethyl-N-propan-2-ylheptanamide (CID 166927362) is N-fluoro-2,3,3,6-tetramethyl-N-propan-2-ylheptanamide.
What is the SMILES notation for N-fluoro-2,3,3,6-tetramethyl-N-propan-2-ylheptanamide?
The canonical SMILES for N-fluoro-2,3,3,6-tetramethyl-N-propan-2-ylheptanamide is CC(C)CCC(C)(C)C(C)C(=O)N(F)C(C)C.
What is the InChIKey of N-fluoro-2,3,3,6-tetramethyl-N-propan-2-ylheptanamide?
The InChIKey is XBTASNDHJSUZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28FNO/c1-10(2)8-9-14(6,7)12(5)13(17)16(15)11(3)4/h10-12H,8-9H2,1-7H3.
What are the key properties of N-fluoro-2,3,3,6-tetramethyl-N-propan-2-ylheptanamide?
N-fluoro-2,3,3,6-tetramethyl-N-propan-2-ylheptanamide has a molecular weight of 245.38 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-2,3,3,6-tetramethyl-N-propan-2-ylheptanamide is sourced from PubChem (CID 166927362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).