(6,6-difluorocyclohexa-2,4-dien-1-yl)methanamine

C7H9F2N — CID 69284464

IUPAC(6,6-difluorocyclohexa-2,4-dien-1-yl)methanamine
SMILESNCC1C=CC=CC1(F)F
InChIInChI=1S/C7H9F2N/c8-7(9)4-2-1-3-6(7)5-10/h1-4,6H,5,10H2
InChIKeyPFGKKGQNFHMOBT-UHFFFAOYSA-N
MW145.15 g/mol
LogP1.32
Rot. Bonds1

About (6,6-difluorocyclohexa-2,4-dien-1-yl)methanamine

(6,6-difluorocyclohexa-2,4-dien-1-yl)methanamine (PubChem CID 69284464) has the molecular formula C7H9F2N and a molecular weight of 145.15 g/mol. Its IUPAC name is (6,6-difluorocyclohexa-2,4-dien-1-yl)methanamine.

Molecular Properties

Compound Name(6,6-difluorocyclohexa-2,4-dien-1-yl)methanamine
PubChem CID69284464
Molecular FormulaC7H9F2N
Molecular Weight145.15 g/mol
Exact Mass145.07
IUPAC Name(6,6-difluorocyclohexa-2,4-dien-1-yl)methanamine
SMILESNCC1C=CC=CC1(F)F
InChIInChI=1S/C7H9F2N/c8-7(9)4-2-1-3-6(7)5-10/h1-4,6H,5,10H2
InChIKeyPFGKKGQNFHMOBT-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 12635460
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CID 23505215
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CID 67402819
CID 67402819
CID 68097553
CID 68097553
CID 68240582
CID 68240582
CID 68650875
CID 68650875
CID 68863303
CID 68863303
CID 69051450
CID 69051450
CID 69088002
CID 69088002
CID 69596702
CID 69596702
CID 70144286
CID 70144286
CID 77408480
CID 77408480

Frequently Asked Questions

What is the IUPAC name of (6,6-difluorocyclohexa-2,4-dien-1-yl)methanamine?
The IUPAC name of (6,6-difluorocyclohexa-2,4-dien-1-yl)methanamine (CID 69284464) is (6,6-difluorocyclohexa-2,4-dien-1-yl)methanamine.
What is the SMILES notation for (6,6-difluorocyclohexa-2,4-dien-1-yl)methanamine?
The canonical SMILES for (6,6-difluorocyclohexa-2,4-dien-1-yl)methanamine is NCC1C=CC=CC1(F)F.
What is the InChIKey of (6,6-difluorocyclohexa-2,4-dien-1-yl)methanamine?
The InChIKey is PFGKKGQNFHMOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N/c8-7(9)4-2-1-3-6(7)5-10/h1-4,6H,5,10H2.
What are the key properties of (6,6-difluorocyclohexa-2,4-dien-1-yl)methanamine?
(6,6-difluorocyclohexa-2,4-dien-1-yl)methanamine has a molecular weight of 145.15 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6-difluorocyclohexa-2,4-dien-1-yl)methanamine is sourced from PubChem (CID 69284464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).