(2,3-difluorocyclohexa-2,4-dien-1-yl)methanamine

C7H9F2N — CID 123313856

IUPAC(2,3-difluorocyclohexa-2,4-dien-1-yl)methanamine
SMILESNCC1CC=CC(F)=C1F
InChIInChI=1S/C7H9F2N/c8-6-3-1-2-5(4-10)7(6)9/h1,3,5H,2,4,10H2
InChIKeyMEMKISRWHOSMGM-UHFFFAOYSA-N
MW145.15 g/mol
LogP1.67
Rot. Bonds1

About (2,3-difluorocyclohexa-2,4-dien-1-yl)methanamine

(2,3-difluorocyclohexa-2,4-dien-1-yl)methanamine (PubChem CID 123313856) has the molecular formula C7H9F2N and a molecular weight of 145.15 g/mol. Its IUPAC name is (2,3-difluorocyclohexa-2,4-dien-1-yl)methanamine.

Molecular Properties

Compound Name(2,3-difluorocyclohexa-2,4-dien-1-yl)methanamine
PubChem CID123313856
Molecular FormulaC7H9F2N
Molecular Weight145.15 g/mol
Exact Mass145.07
IUPAC Name(2,3-difluorocyclohexa-2,4-dien-1-yl)methanamine
SMILESNCC1CC=CC(F)=C1F
InChIInChI=1S/C7H9F2N/c8-6-3-1-2-5(4-10)7(6)9/h1,3,5H,2,4,10H2
InChIKeyMEMKISRWHOSMGM-UHFFFAOYSA-N
XLogP1.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.15
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Dihydrobenzylamine
CID 12635460
6-(Trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 23505215
[1-Fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanamine
CID 67402819
3-Fluoro-6-methylcyclohexa-2,4-dien-1-amine
CID 68045101
(4-Fluorocyclohexa-2,4-dien-1-yl)methanamine
CID 68240582
(3-Chloro-1,2-difluorocyclohexa-2,4-dien-1-yl)methanamine
CID 68650875
[6-(Aminomethyl)-2,4,5,6-tetrafluorocyclohexa-2,4-dien-1-yl]methanamine
CID 68863303
2,3,5,6-Tetrafluoroxylylenediamine
CID 68863371
[6-(Aminomethyl)-2,3,4,6-tetrafluorocyclohexa-2,4-dien-1-yl]methanamine
CID 69033735
[6-(Aminomethyl)-3,4,5,6-tetrafluorocyclohexa-2,4-dien-1-yl]methanamine
CID 69036767
(1,4-Difluorocyclohexa-2,4-dien-1-yl)methanamine
CID 69051450
[4-Fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanamine
CID 69088002

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorocyclohexa-2,4-dien-1-yl)methanamine?
The IUPAC name of (2,3-difluorocyclohexa-2,4-dien-1-yl)methanamine (CID 123313856) is (2,3-difluorocyclohexa-2,4-dien-1-yl)methanamine.
What is the SMILES notation for (2,3-difluorocyclohexa-2,4-dien-1-yl)methanamine?
The canonical SMILES for (2,3-difluorocyclohexa-2,4-dien-1-yl)methanamine is NCC1CC=CC(F)=C1F.
What is the InChIKey of (2,3-difluorocyclohexa-2,4-dien-1-yl)methanamine?
The InChIKey is MEMKISRWHOSMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N/c8-6-3-1-2-5(4-10)7(6)9/h1,3,5H,2,4,10H2.
What are the key properties of (2,3-difluorocyclohexa-2,4-dien-1-yl)methanamine?
(2,3-difluorocyclohexa-2,4-dien-1-yl)methanamine has a molecular weight of 145.15 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorocyclohexa-2,4-dien-1-yl)methanamine is sourced from PubChem (CID 123313856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).