4-fluoro-N,N,3-trimethylcyclohexa-2,4-diene-1-carboxamide

C10H14FNO — CID 139540073

IUPAC4-fluoro-N,N,3-trimethylcyclohexa-2,4-diene-1-carboxamide
SMILESCC1=CC(C(=O)N(C)C)CC=C1F
InChIInChI=1S/C10H14FNO/c1-7-6-8(4-5-9(7)11)10(13)12(2)3/h5-6,8H,4H2,1-3H3
InChIKeyXALUTGSBGVUXKI-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.89
Rot. Bonds1

About 4-fluoro-N,N,3-trimethylcyclohexa-2,4-diene-1-carboxamide

4-fluoro-N,N,3-trimethylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 139540073) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 4-fluoro-N,N,3-trimethylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-N,N,3-trimethylcyclohexa-2,4-diene-1-carboxamide
PubChem CID139540073
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name4-fluoro-N,N,3-trimethylcyclohexa-2,4-diene-1-carboxamide
SMILESCC1=CC(C(=O)N(C)C)CC=C1F
InChIInChI=1S/C10H14FNO/c1-7-6-8(4-5-9(7)11)10(13)12(2)3/h5-6,8H,4H2,1-3H3
InChIKeyXALUTGSBGVUXKI-UHFFFAOYSA-N
XLogP1.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,N,3-trimethylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 4-fluoro-N,N,3-trimethylcyclohexa-2,4-diene-1-carboxamide (CID 139540073) is 4-fluoro-N,N,3-trimethylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 4-fluoro-N,N,3-trimethylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 4-fluoro-N,N,3-trimethylcyclohexa-2,4-diene-1-carboxamide is CC1=CC(C(=O)N(C)C)CC=C1F.
What is the InChIKey of 4-fluoro-N,N,3-trimethylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is XALUTGSBGVUXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-7-6-8(4-5-9(7)11)10(13)12(2)3/h5-6,8H,4H2,1-3H3.
What are the key properties of 4-fluoro-N,N,3-trimethylcyclohexa-2,4-diene-1-carboxamide?
4-fluoro-N,N,3-trimethylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 183.23 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,N,3-trimethylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 139540073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).