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

C7H9F2N — CID 70144286

IUPAC(4,4-difluorocyclohexa-1,5-dien-1-yl)methanamine
SMILESNCC1=CCC(F)(F)C=C1
InChIInChI=1S/C7H9F2N/c8-7(9)3-1-6(5-10)2-4-7/h1-3H,4-5,10H2
InChIKeyXYMXHEQWXNFBMN-UHFFFAOYSA-N
MW145.15 g/mol
LogP1.47
Rot. Bonds1

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

(4,4-difluorocyclohexa-1,5-dien-1-yl)methanamine (PubChem CID 70144286) has the molecular formula C7H9F2N and a molecular weight of 145.15 g/mol. Its IUPAC name is (4,4-difluorocyclohexa-1,5-dien-1-yl)methanamine.

Molecular Properties

Compound Name(4,4-difluorocyclohexa-1,5-dien-1-yl)methanamine
PubChem CID70144286
Molecular FormulaC7H9F2N
Molecular Weight145.15 g/mol
Exact Mass145.07
IUPAC Name(4,4-difluorocyclohexa-1,5-dien-1-yl)methanamine
SMILESNCC1=CCC(F)(F)C=C1
InChIInChI=1S/C7H9F2N/c8-7(9)3-1-6(5-10)2-4-7/h1-3H,4-5,10H2
InChIKeyXYMXHEQWXNFBMN-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-Dihydrobenzylamine
CID 21950499
6-(Trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 23505215
[1-Fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanamine
CID 67402819
(1,4-Difluorocyclohexa-2,4-dien-1-yl)methanamine
CID 69051450
(6,6-Difluorocyclohexa-2,4-dien-1-yl)methanamine
CID 69284464
(3,4-Difluorocyclohexa-1,5-dien-1-yl)methanamine
CID 70311731
(1Z,3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 87085214
(6-Fluorocyclohexa-1,3,4-trien-1-yl)methanamine
CID 88561653
[4-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanamine
CID 88982780
1-Cyclohexa-1,5-dien-1-yl-2,2,2-trifluoroethanamine
CID 89009809
3-(Trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 89018271
5-Fluoro-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 89054275

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexa-1,5-dien-1-yl)methanamine?
The IUPAC name of (4,4-difluorocyclohexa-1,5-dien-1-yl)methanamine (CID 70144286) is (4,4-difluorocyclohexa-1,5-dien-1-yl)methanamine.
What is the SMILES notation for (4,4-difluorocyclohexa-1,5-dien-1-yl)methanamine?
The canonical SMILES for (4,4-difluorocyclohexa-1,5-dien-1-yl)methanamine is NCC1=CCC(F)(F)C=C1.
What is the InChIKey of (4,4-difluorocyclohexa-1,5-dien-1-yl)methanamine?
The InChIKey is XYMXHEQWXNFBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N/c8-7(9)3-1-6(5-10)2-4-7/h1-3H,4-5,10H2.
What are the key properties of (4,4-difluorocyclohexa-1,5-dien-1-yl)methanamine?
(4,4-difluorocyclohexa-1,5-dien-1-yl)methanamine has a molecular weight of 145.15 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexa-1,5-dien-1-yl)methanamine is sourced from PubChem (CID 70144286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).