4-chloro-3-fluorocyclohexa-2,4-dien-1-amine

C6H7ClFN — CID 118900796

IUPAC4-chloro-3-fluorocyclohexa-2,4-dien-1-amine
SMILESNC1C=C(F)C(Cl)=CC1
InChIInChI=1S/C6H7ClFN/c7-5-2-1-4(9)3-6(5)8/h2-4H,1,9H2
InChIKeyVRBSMFICHXFDBS-UHFFFAOYSA-N
MW147.58 g/mol
LogP1.69
Rot. Bonds

About 4-chloro-3-fluorocyclohexa-2,4-dien-1-amine

4-chloro-3-fluorocyclohexa-2,4-dien-1-amine (PubChem CID 118900796) has the molecular formula C6H7ClFN and a molecular weight of 147.58 g/mol. Its IUPAC name is 4-chloro-3-fluorocyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-chloro-3-fluorocyclohexa-2,4-dien-1-amine
PubChem CID118900796
Molecular FormulaC6H7ClFN
Molecular Weight147.58 g/mol
Exact Mass147.03
IUPAC Name4-chloro-3-fluorocyclohexa-2,4-dien-1-amine
SMILESNC1C=C(F)C(Cl)=CC1
InChIInChI=1S/C6H7ClFN/c7-5-2-1-4(9)3-6(5)8/h2-4H,1,9H2
InChIKeyVRBSMFICHXFDBS-UHFFFAOYSA-N
XLogP1.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.58
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluorocyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-chloro-3-fluorocyclohexa-2,4-dien-1-amine (CID 118900796) is 4-chloro-3-fluorocyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-chloro-3-fluorocyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-chloro-3-fluorocyclohexa-2,4-dien-1-amine is NC1C=C(F)C(Cl)=CC1.
What is the InChIKey of 4-chloro-3-fluorocyclohexa-2,4-dien-1-amine?
The InChIKey is VRBSMFICHXFDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClFN/c7-5-2-1-4(9)3-6(5)8/h2-4H,1,9H2.
What are the key properties of 4-chloro-3-fluorocyclohexa-2,4-dien-1-amine?
4-chloro-3-fluorocyclohexa-2,4-dien-1-amine has a molecular weight of 147.58 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluorocyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 118900796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).