5-(fluoromethyl)cyclohexa-2,4-dien-1-amine

C7H10FN — CID 89153628

IUPAC5-(fluoromethyl)cyclohexa-2,4-dien-1-amine
SMILESNC1C=CC=C(CF)C1
InChIInChI=1S/C7H10FN/c8-5-6-2-1-3-7(9)4-6/h1-3,7H,4-5,9H2
InChIKeyWNJWSWZQNWVZOF-UHFFFAOYSA-N
MW127.16 g/mol
LogP1.17
Rot. Bonds1

About 5-(fluoromethyl)cyclohexa-2,4-dien-1-amine

5-(fluoromethyl)cyclohexa-2,4-dien-1-amine (PubChem CID 89153628) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 5-(fluoromethyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name5-(fluoromethyl)cyclohexa-2,4-dien-1-amine
PubChem CID89153628
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name5-(fluoromethyl)cyclohexa-2,4-dien-1-amine
SMILESNC1C=CC=C(CF)C1
InChIInChI=1S/C7H10FN/c8-5-6-2-1-3-7(9)4-6/h1-3,7H,4-5,9H2
InChIKeyWNJWSWZQNWVZOF-UHFFFAOYSA-N
XLogP1.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 5-(fluoromethyl)cyclohexa-2,4-dien-1-amine (CID 89153628) is 5-(fluoromethyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 5-(fluoromethyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 5-(fluoromethyl)cyclohexa-2,4-dien-1-amine is NC1C=CC=C(CF)C1.
What is the InChIKey of 5-(fluoromethyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is WNJWSWZQNWVZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c8-5-6-2-1-3-7(9)4-6/h1-3,7H,4-5,9H2.
What are the key properties of 5-(fluoromethyl)cyclohexa-2,4-dien-1-amine?
5-(fluoromethyl)cyclohexa-2,4-dien-1-amine has a molecular weight of 127.16 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 89153628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).