4-(difluoromethyl)-4-fluorocyclohexa-1,5-dien-1-amine

C7H8F3N — CID 152541819

IUPAC4-(difluoromethyl)-4-fluorocyclohexa-1,5-dien-1-amine
SMILESNC1=CCC(F)(C(F)F)C=C1
InChIInChI=1S/C7H8F3N/c8-6(9)7(10)3-1-5(11)2-4-7/h1-3,6H,4,11H2
InChIKeyYLRSSIOWGYMONU-UHFFFAOYSA-N
MW163.14 g/mol
LogP1.76
Rot. Bonds1

About 4-(difluoromethyl)-4-fluorocyclohexa-1,5-dien-1-amine

4-(difluoromethyl)-4-fluorocyclohexa-1,5-dien-1-amine (PubChem CID 152541819) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is 4-(difluoromethyl)-4-fluorocyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-4-fluorocyclohexa-1,5-dien-1-amine
PubChem CID152541819
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name4-(difluoromethyl)-4-fluorocyclohexa-1,5-dien-1-amine
SMILESNC1=CCC(F)(C(F)F)C=C1
InChIInChI=1S/C7H8F3N/c8-6(9)7(10)3-1-5(11)2-4-7/h1-3,6H,4,11H2
InChIKeyYLRSSIOWGYMONU-UHFFFAOYSA-N
XLogP1.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-4-fluorocyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-(difluoromethyl)-4-fluorocyclohexa-1,5-dien-1-amine (CID 152541819) is 4-(difluoromethyl)-4-fluorocyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-(difluoromethyl)-4-fluorocyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-(difluoromethyl)-4-fluorocyclohexa-1,5-dien-1-amine is NC1=CCC(F)(C(F)F)C=C1.
What is the InChIKey of 4-(difluoromethyl)-4-fluorocyclohexa-1,5-dien-1-amine?
The InChIKey is YLRSSIOWGYMONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N/c8-6(9)7(10)3-1-5(11)2-4-7/h1-3,6H,4,11H2.
What are the key properties of 4-(difluoromethyl)-4-fluorocyclohexa-1,5-dien-1-amine?
4-(difluoromethyl)-4-fluorocyclohexa-1,5-dien-1-amine has a molecular weight of 163.14 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-4-fluorocyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 152541819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).