1,2-difluoro-5-phenylcyclohexa-2,4-dien-1-amine

C12H11F2N — CID 174700520

IUPAC1,2-difluoro-5-phenylcyclohexa-2,4-dien-1-amine
SMILESNC1(F)CC(c2ccccc2)=CC=C1F
InChIInChI=1S/C12H11F2N/c13-11-7-6-10(8-12(11,14)15)9-4-2-1-3-5-9/h1-7H,8,15H2
InChIKeyCMVQNKKHIALSIP-UHFFFAOYSA-N
MW207.22 g/mol
LogP2.95
Rot. Bonds1

About 1,2-difluoro-5-phenylcyclohexa-2,4-dien-1-amine

1,2-difluoro-5-phenylcyclohexa-2,4-dien-1-amine (PubChem CID 174700520) has the molecular formula C12H11F2N and a molecular weight of 207.22 g/mol. Its IUPAC name is 1,2-difluoro-5-phenylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1,2-difluoro-5-phenylcyclohexa-2,4-dien-1-amine
PubChem CID174700520
Molecular FormulaC12H11F2N
Molecular Weight207.22 g/mol
Exact Mass207.09
IUPAC Name1,2-difluoro-5-phenylcyclohexa-2,4-dien-1-amine
SMILESNC1(F)CC(c2ccccc2)=CC=C1F
InChIInChI=1S/C12H11F2N/c13-11-7-6-10(8-12(11,14)15)9-4-2-1-3-5-9/h1-7H,8,15H2
InChIKeyCMVQNKKHIALSIP-UHFFFAOYSA-N
XLogP2.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

5,5-difluoro-1-phenylcyclohexa-1,3-diene
CID 21252411
2-amino-1-hydroxy-5-phenylcyclohexa-2,4-diene-1-carboxylic acid;hydrochloride
CID 174448664
benzene;1,1'-biphenyl;ethane
CID 158550617
1-fluoro-3-methoxy-5-phenylcyclohexa-2,4-dien-1-amine
CID 68728208
benzene;tris(1,1'-biphenyl)
CID 162155747
2-amino-1-methoxy-5-phenylcyclohexa-2,4-diene-1-carbonitrile
CID 174744766
1,4-diphenylbenzene;ethane;methanamine
CID 168951795
1,2-dimethyl-5-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 70700084
1,1'-biphenyl;ethane;hydrobromide
CID 90342014
1,1'-biphenyl;cycloheptane
CID 174877368
benzene;1,1'-biphenyl;ethane;methane
CID 161215689
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-5-phenylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 1,2-difluoro-5-phenylcyclohexa-2,4-dien-1-amine (CID 174700520) is 1,2-difluoro-5-phenylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1,2-difluoro-5-phenylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1,2-difluoro-5-phenylcyclohexa-2,4-dien-1-amine is NC1(F)CC(c2ccccc2)=CC=C1F.
What is the InChIKey of 1,2-difluoro-5-phenylcyclohexa-2,4-dien-1-amine?
The InChIKey is CMVQNKKHIALSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N/c13-11-7-6-10(8-12(11,14)15)9-4-2-1-3-5-9/h1-7H,8,15H2.
What are the key properties of 1,2-difluoro-5-phenylcyclohexa-2,4-dien-1-amine?
1,2-difluoro-5-phenylcyclohexa-2,4-dien-1-amine has a molecular weight of 207.22 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-5-phenylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 174700520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).