2-fluoro-2-propan-2-ylhexanamide

C9H18FNO — CID 54054711

IUPAC2-fluoro-2-propan-2-ylhexanamide
SMILESCCCCC(F)(C(N)=O)C(C)C
InChIInChI=1S/C9H18FNO/c1-4-5-6-9(10,7(2)3)8(11)12/h7H,4-6H2,1-3H3,(H2,11,12)
InChIKeyLVKVCTNKSMUYSV-UHFFFAOYSA-N
MW175.25 g/mol
LogP2.03
Rot. Bonds5

About 2-fluoro-2-propan-2-ylhexanamide

2-fluoro-2-propan-2-ylhexanamide (PubChem CID 54054711) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 2-fluoro-2-propan-2-ylhexanamide.

Molecular Properties

Compound Name2-fluoro-2-propan-2-ylhexanamide
PubChem CID54054711
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name2-fluoro-2-propan-2-ylhexanamide
SMILESCCCCC(F)(C(N)=O)C(C)C
InChIInChI=1S/C9H18FNO/c1-4-5-6-9(10,7(2)3)8(11)12/h7H,4-6H2,1-3H3,(H2,11,12)
InChIKeyLVKVCTNKSMUYSV-UHFFFAOYSA-N
XLogP2.03
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-propan-2-ylhexanamide?
The IUPAC name of 2-fluoro-2-propan-2-ylhexanamide (CID 54054711) is 2-fluoro-2-propan-2-ylhexanamide.
What is the SMILES notation for 2-fluoro-2-propan-2-ylhexanamide?
The canonical SMILES for 2-fluoro-2-propan-2-ylhexanamide is CCCCC(F)(C(N)=O)C(C)C.
What is the InChIKey of 2-fluoro-2-propan-2-ylhexanamide?
The InChIKey is LVKVCTNKSMUYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-4-5-6-9(10,7(2)3)8(11)12/h7H,4-6H2,1-3H3,(H2,11,12).
What are the key properties of 2-fluoro-2-propan-2-ylhexanamide?
2-fluoro-2-propan-2-ylhexanamide has a molecular weight of 175.25 g/mol, XLogP of 2.03, 5 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-ylhexanamide is sourced from PubChem (CID 54054711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).