2-(fluoromethyl)-N,N,2-tri(propan-2-yl)pentanamide

C15H30FNO — CID 88580566

IUPAC2-(fluoromethyl)-N,N,2-tri(propan-2-yl)pentanamide
SMILESCCCC(CF)(C(=O)N(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C15H30FNO/c1-8-9-15(10-16,11(2)3)14(18)17(12(4)5)13(6)7/h11-13H,8-10H2,1-7H3
InChIKeyPTRCSOABKHFEQL-UHFFFAOYSA-N
MW259.41 g/mol
LogP4.04
Rot. Bonds7

About 2-(fluoromethyl)-N,N,2-tri(propan-2-yl)pentanamide

2-(fluoromethyl)-N,N,2-tri(propan-2-yl)pentanamide (PubChem CID 88580566) has the molecular formula C15H30FNO and a molecular weight of 259.41 g/mol. Its IUPAC name is 2-(fluoromethyl)-N,N,2-tri(propan-2-yl)pentanamide.

Molecular Properties

Compound Name2-(fluoromethyl)-N,N,2-tri(propan-2-yl)pentanamide
PubChem CID88580566
Molecular FormulaC15H30FNO
Molecular Weight259.41 g/mol
Exact Mass259.23
IUPAC Name2-(fluoromethyl)-N,N,2-tri(propan-2-yl)pentanamide
SMILESCCCC(CF)(C(=O)N(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C15H30FNO/c1-8-9-15(10-16,11(2)3)14(18)17(12(4)5)13(6)7/h11-13H,8-10H2,1-7H3
InChIKeyPTRCSOABKHFEQL-UHFFFAOYSA-N
XLogP4.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-N,N,2-tri(propan-2-yl)pentanamide?
The IUPAC name of 2-(fluoromethyl)-N,N,2-tri(propan-2-yl)pentanamide (CID 88580566) is 2-(fluoromethyl)-N,N,2-tri(propan-2-yl)pentanamide.
What is the SMILES notation for 2-(fluoromethyl)-N,N,2-tri(propan-2-yl)pentanamide?
The canonical SMILES for 2-(fluoromethyl)-N,N,2-tri(propan-2-yl)pentanamide is CCCC(CF)(C(=O)N(C(C)C)C(C)C)C(C)C.
What is the InChIKey of 2-(fluoromethyl)-N,N,2-tri(propan-2-yl)pentanamide?
The InChIKey is PTRCSOABKHFEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30FNO/c1-8-9-15(10-16,11(2)3)14(18)17(12(4)5)13(6)7/h11-13H,8-10H2,1-7H3.
What are the key properties of 2-(fluoromethyl)-N,N,2-tri(propan-2-yl)pentanamide?
2-(fluoromethyl)-N,N,2-tri(propan-2-yl)pentanamide has a molecular weight of 259.41 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-N,N,2-tri(propan-2-yl)pentanamide is sourced from PubChem (CID 88580566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).