6-cyclopropyl-6-fluorocyclohexa-2,4-diene-1-carboxamide

C10H12FNO — CID 66666374

IUPAC6-cyclopropyl-6-fluorocyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)C1C=CC=CC1(F)C1CC1
InChIInChI=1S/C10H12FNO/c11-10(7-4-5-7)6-2-1-3-8(10)9(12)13/h1-3,6-8H,4-5H2,(H2,12,13)
InChIKeyRLFPGYVWIMMPGK-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.33
Rot. Bonds2

About 6-cyclopropyl-6-fluorocyclohexa-2,4-diene-1-carboxamide

6-cyclopropyl-6-fluorocyclohexa-2,4-diene-1-carboxamide (PubChem CID 66666374) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 6-cyclopropyl-6-fluorocyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-6-fluorocyclohexa-2,4-diene-1-carboxamide
PubChem CID66666374
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name6-cyclopropyl-6-fluorocyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)C1C=CC=CC1(F)C1CC1
InChIInChI=1S/C10H12FNO/c11-10(7-4-5-7)6-2-1-3-8(10)9(12)13/h1-3,6-8H,4-5H2,(H2,12,13)
InChIKeyRLFPGYVWIMMPGK-UHFFFAOYSA-N
XLogP1.33
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-6-fluorocyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 6-cyclopropyl-6-fluorocyclohexa-2,4-diene-1-carboxamide (CID 66666374) is 6-cyclopropyl-6-fluorocyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 6-cyclopropyl-6-fluorocyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 6-cyclopropyl-6-fluorocyclohexa-2,4-diene-1-carboxamide is NC(=O)C1C=CC=CC1(F)C1CC1.
What is the InChIKey of 6-cyclopropyl-6-fluorocyclohexa-2,4-diene-1-carboxamide?
The InChIKey is RLFPGYVWIMMPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c11-10(7-4-5-7)6-2-1-3-8(10)9(12)13/h1-3,6-8H,4-5H2,(H2,12,13).
What are the key properties of 6-cyclopropyl-6-fluorocyclohexa-2,4-diene-1-carboxamide?
6-cyclopropyl-6-fluorocyclohexa-2,4-diene-1-carboxamide has a molecular weight of 181.21 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-6-fluorocyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 66666374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).