(1S)-3,5-difluoro-6-methylcyclohexa-2,4-dien-1-amine

C7H9F2N — CID 146427310

IUPAC(1S)-3,5-difluoro-6-methylcyclohexa-2,4-dien-1-amine
SMILESCC1C(F)=CC(F)=C[C@@H]1N
InChIInChI=1S/C7H9F2N/c1-4-6(9)2-5(8)3-7(4)10/h2-4,7H,10H2,1H3/t4?,7-/m0/s1
InChIKeyMABLPBCPQXZUMA-DRGSQQHPSA-N
MW145.15 g/mol
LogP1.67
Rot. Bonds

About (1S)-3,5-difluoro-6-methylcyclohexa-2,4-dien-1-amine

(1S)-3,5-difluoro-6-methylcyclohexa-2,4-dien-1-amine (PubChem CID 146427310) has the molecular formula C7H9F2N and a molecular weight of 145.15 g/mol. Its IUPAC name is (1S)-3,5-difluoro-6-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(1S)-3,5-difluoro-6-methylcyclohexa-2,4-dien-1-amine
PubChem CID146427310
Molecular FormulaC7H9F2N
Molecular Weight145.15 g/mol
Exact Mass145.07
IUPAC Name(1S)-3,5-difluoro-6-methylcyclohexa-2,4-dien-1-amine
SMILESCC1C(F)=CC(F)=C[C@@H]1N
InChIInChI=1S/C7H9F2N/c1-4-6(9)2-5(8)3-7(4)10/h2-4,7H,10H2,1H3/t4?,7-/m0/s1
InChIKeyMABLPBCPQXZUMA-DRGSQQHPSA-N
XLogP1.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
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 (1S)-3,5-difluoro-6-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of (1S)-3,5-difluoro-6-methylcyclohexa-2,4-dien-1-amine (CID 146427310) is (1S)-3,5-difluoro-6-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for (1S)-3,5-difluoro-6-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for (1S)-3,5-difluoro-6-methylcyclohexa-2,4-dien-1-amine is CC1C(F)=CC(F)=C[C@@H]1N.
What is the InChIKey of (1S)-3,5-difluoro-6-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is MABLPBCPQXZUMA-DRGSQQHPSA-N. The full InChI is InChI=1S/C7H9F2N/c1-4-6(9)2-5(8)3-7(4)10/h2-4,7H,10H2,1H3/t4?,7-/m0/s1.
What are the key properties of (1S)-3,5-difluoro-6-methylcyclohexa-2,4-dien-1-amine?
(1S)-3,5-difluoro-6-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 145.15 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,5-difluoro-6-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 146427310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).