3-chloro-N,N-diethyl-3,4,4,4-tetrafluoro-2-methylbutanamide

C9H14ClF4NO — CID 177313187

IUPAC3-chloro-N,N-diethyl-3,4,4,4-tetrafluoro-2-methylbutanamide
SMILESCCN(CC)C(=O)C(C)C(F)(Cl)C(F)(F)F
InChIInChI=1S/C9H14ClF4NO/c1-4-15(5-2)7(16)6(3)8(10,11)9(12,13)14/h6H,4-5H2,1-3H3
InChIKeyXZSFSYUYTWQULV-UHFFFAOYSA-N
MW263.66 g/mol
LogP2.96
Rot. Bonds4

About 3-chloro-N,N-diethyl-3,4,4,4-tetrafluoro-2-methylbutanamide

3-chloro-N,N-diethyl-3,4,4,4-tetrafluoro-2-methylbutanamide (PubChem CID 177313187) has the molecular formula C9H14ClF4NO and a molecular weight of 263.66 g/mol. Its IUPAC name is 3-chloro-N,N-diethyl-3,4,4,4-tetrafluoro-2-methylbutanamide.

Molecular Properties

Compound Name3-chloro-N,N-diethyl-3,4,4,4-tetrafluoro-2-methylbutanamide
PubChem CID177313187
Molecular FormulaC9H14ClF4NO
Molecular Weight263.66 g/mol
Exact Mass263.07
IUPAC Name3-chloro-N,N-diethyl-3,4,4,4-tetrafluoro-2-methylbutanamide
SMILESCCN(CC)C(=O)C(C)C(F)(Cl)C(F)(F)F
InChIInChI=1S/C9H14ClF4NO/c1-4-15(5-2)7(16)6(3)8(10,11)9(12,13)14/h6H,4-5H2,1-3H3
InChIKeyXZSFSYUYTWQULV-UHFFFAOYSA-N
XLogP2.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.66
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-diethyl-3,4,4,4-tetrafluoro-2-methylbutanamide?
The IUPAC name of 3-chloro-N,N-diethyl-3,4,4,4-tetrafluoro-2-methylbutanamide (CID 177313187) is 3-chloro-N,N-diethyl-3,4,4,4-tetrafluoro-2-methylbutanamide.
What is the SMILES notation for 3-chloro-N,N-diethyl-3,4,4,4-tetrafluoro-2-methylbutanamide?
The canonical SMILES for 3-chloro-N,N-diethyl-3,4,4,4-tetrafluoro-2-methylbutanamide is CCN(CC)C(=O)C(C)C(F)(Cl)C(F)(F)F.
What is the InChIKey of 3-chloro-N,N-diethyl-3,4,4,4-tetrafluoro-2-methylbutanamide?
The InChIKey is XZSFSYUYTWQULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClF4NO/c1-4-15(5-2)7(16)6(3)8(10,11)9(12,13)14/h6H,4-5H2,1-3H3.
What are the key properties of 3-chloro-N,N-diethyl-3,4,4,4-tetrafluoro-2-methylbutanamide?
3-chloro-N,N-diethyl-3,4,4,4-tetrafluoro-2-methylbutanamide has a molecular weight of 263.66 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-diethyl-3,4,4,4-tetrafluoro-2-methylbutanamide is sourced from PubChem (CID 177313187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).