(3,4-difluorocyclohexa-1,5-dien-1-yl)methanamine

C7H9F2N — CID 70311731

IUPAC(3,4-difluorocyclohexa-1,5-dien-1-yl)methanamine
SMILESNCC1=CC(F)C(F)C=C1
InChIInChI=1S/C7H9F2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3,6-7H,4,10H2
InChIKeyWKGFQKWMYVRAJG-UHFFFAOYSA-N
MW145.15 g/mol
LogP1.12
Rot. Bonds1

About (3,4-difluorocyclohexa-1,5-dien-1-yl)methanamine

(3,4-difluorocyclohexa-1,5-dien-1-yl)methanamine (PubChem CID 70311731) has the molecular formula C7H9F2N and a molecular weight of 145.15 g/mol. Its IUPAC name is (3,4-difluorocyclohexa-1,5-dien-1-yl)methanamine.

Molecular Properties

Compound Name(3,4-difluorocyclohexa-1,5-dien-1-yl)methanamine
PubChem CID70311731
Molecular FormulaC7H9F2N
Molecular Weight145.15 g/mol
Exact Mass145.07
IUPAC Name(3,4-difluorocyclohexa-1,5-dien-1-yl)methanamine
SMILESNCC1=CC(F)C(F)C=C1
InChIInChI=1S/C7H9F2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3,6-7H,4,10H2
InChIKeyWKGFQKWMYVRAJG-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-Dihydrobenzylamine
CID 21950499
2-Methyleneaniline
CID 70393655
6-Fluorocyclohexa-2,4-dien-1-amine
CID 23505185
5,6-Difluorocyclohexa-2,4-dien-1-amine
CID 23505194
[1-Fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanamine
CID 67402819
3-Fluoro-4-methylcyclohexa-2,4-dien-1-amine
CID 67710936
4-Fluorocyclohexa-2,4-dien-1-amine
CID 68016326
(1,4-Difluorocyclohexa-2,4-dien-1-yl)methanamine
CID 69051450
3,6-Difluoro-6-methylcyclohexa-2,4-dien-1-amine
CID 69362924
4-Fluoro-4-fluorobenzylamine
CID 70144286
Lithium 2-(aminomethyl)benzen-1-ide
CID 71345009
(2E,4E)-5-fluoro-4-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 88267041

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorocyclohexa-1,5-dien-1-yl)methanamine?
The IUPAC name of (3,4-difluorocyclohexa-1,5-dien-1-yl)methanamine (CID 70311731) is (3,4-difluorocyclohexa-1,5-dien-1-yl)methanamine.
What is the SMILES notation for (3,4-difluorocyclohexa-1,5-dien-1-yl)methanamine?
The canonical SMILES for (3,4-difluorocyclohexa-1,5-dien-1-yl)methanamine is NCC1=CC(F)C(F)C=C1.
What is the InChIKey of (3,4-difluorocyclohexa-1,5-dien-1-yl)methanamine?
The InChIKey is WKGFQKWMYVRAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3,6-7H,4,10H2.
What are the key properties of (3,4-difluorocyclohexa-1,5-dien-1-yl)methanamine?
(3,4-difluorocyclohexa-1,5-dien-1-yl)methanamine has a molecular weight of 145.15 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorocyclohexa-1,5-dien-1-yl)methanamine is sourced from PubChem (CID 70311731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).