6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-propan-2-ylhexanamide

C9H8ClF10NO — CID 3089636

IUPAC6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-propan-2-ylhexanamide
SMILESCC(C)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C9H8ClF10NO/c1-3(2)21-4(22)5(11,12)6(13,14)7(15,16)8(17,18)9(10,19)20/h3H,1-2H3,(H,21,22)
InChIKeyHWUZAEDMDQPGPI-UHFFFAOYSA-N
MW371.60 g/mol
LogP3.88
Rot. Bonds6

About 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-propan-2-ylhexanamide

6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-propan-2-ylhexanamide (PubChem CID 3089636) has the molecular formula C9H8ClF10NO and a molecular weight of 371.60 g/mol. Its IUPAC name is 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-propan-2-ylhexanamide.

Molecular Properties

Compound Name6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-propan-2-ylhexanamide
PubChem CID3089636
Molecular FormulaC9H8ClF10NO
Molecular Weight371.60 g/mol
Exact Mass371.01
IUPAC Name6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-propan-2-ylhexanamide
SMILESCC(C)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C9H8ClF10NO/c1-3(2)21-4(22)5(11,12)6(13,14)7(15,16)8(17,18)9(10,19)20/h3H,1-2H3,(H,21,22)
InChIKeyHWUZAEDMDQPGPI-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.60
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-propan-2-ylhexanamide?
The IUPAC name of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-propan-2-ylhexanamide (CID 3089636) is 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-propan-2-ylhexanamide.
What is the SMILES notation for 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-propan-2-ylhexanamide?
The canonical SMILES for 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-propan-2-ylhexanamide is CC(C)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl.
What is the InChIKey of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-propan-2-ylhexanamide?
The InChIKey is HWUZAEDMDQPGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF10NO/c1-3(2)21-4(22)5(11,12)6(13,14)7(15,16)8(17,18)9(10,19)20/h3H,1-2H3,(H,21,22).
What are the key properties of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-propan-2-ylhexanamide?
6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-propan-2-ylhexanamide has a molecular weight of 371.60 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-propan-2-ylhexanamide is sourced from PubChem (CID 3089636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).