(3,5-difluorocyclohexa-2,4-dien-1-yl)methanamine

C7H9F2N — CID 146833899

IUPAC(3,5-difluorocyclohexa-2,4-dien-1-yl)methanamine
SMILESNCC1C=C(F)C=C(F)C1
InChIInChI=1S/C7H9F2N/c8-6-1-5(4-10)2-7(9)3-6/h1,3,5H,2,4,10H2
InChIKeySESWJFZGOUZFMR-UHFFFAOYSA-N
MW145.15 g/mol
LogP1.67
Rot. Bonds1

About (3,5-difluorocyclohexa-2,4-dien-1-yl)methanamine

(3,5-difluorocyclohexa-2,4-dien-1-yl)methanamine (PubChem CID 146833899) has the molecular formula C7H9F2N and a molecular weight of 145.15 g/mol. Its IUPAC name is (3,5-difluorocyclohexa-2,4-dien-1-yl)methanamine.

Molecular Properties

Compound Name(3,5-difluorocyclohexa-2,4-dien-1-yl)methanamine
PubChem CID146833899
Molecular FormulaC7H9F2N
Molecular Weight145.15 g/mol
Exact Mass145.07
IUPAC Name(3,5-difluorocyclohexa-2,4-dien-1-yl)methanamine
SMILESNCC1C=C(F)C=C(F)C1
InChIInChI=1S/C7H9F2N/c8-6-1-5(4-10)2-7(9)3-6/h1,3,5H,2,4,10H2
InChIKeySESWJFZGOUZFMR-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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Frequently Asked Questions

What is the IUPAC name of (3,5-difluorocyclohexa-2,4-dien-1-yl)methanamine?
The IUPAC name of (3,5-difluorocyclohexa-2,4-dien-1-yl)methanamine (CID 146833899) is (3,5-difluorocyclohexa-2,4-dien-1-yl)methanamine.
What is the SMILES notation for (3,5-difluorocyclohexa-2,4-dien-1-yl)methanamine?
The canonical SMILES for (3,5-difluorocyclohexa-2,4-dien-1-yl)methanamine is NCC1C=C(F)C=C(F)C1.
What is the InChIKey of (3,5-difluorocyclohexa-2,4-dien-1-yl)methanamine?
The InChIKey is SESWJFZGOUZFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N/c8-6-1-5(4-10)2-7(9)3-6/h1,3,5H,2,4,10H2.
What are the key properties of (3,5-difluorocyclohexa-2,4-dien-1-yl)methanamine?
(3,5-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 (3,5-difluorocyclohexa-2,4-dien-1-yl)methanamine is sourced from PubChem (CID 146833899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).