(5R)-3,5-difluoro-5-methylcyclohexa-1,3-dien-1-amine

C7H9F2N — CID 173491482

IUPAC(5R)-3,5-difluoro-5-methylcyclohexa-1,3-dien-1-amine
SMILESC[C@]1(F)C=C(F)C=C(N)C1
InChIInChI=1S/C7H9F2N/c1-7(9)3-5(8)2-6(10)4-7/h2-3H,4,10H2,1H3/t7-/m0/s1
InChIKeyFXNVHXNGMCPBMS-ZETCQYMHSA-N
MW145.15 g/mol
LogP1.81
Rot. Bonds

About (5R)-3,5-difluoro-5-methylcyclohexa-1,3-dien-1-amine

(5R)-3,5-difluoro-5-methylcyclohexa-1,3-dien-1-amine (PubChem CID 173491482) has the molecular formula C7H9F2N and a molecular weight of 145.15 g/mol. Its IUPAC name is (5R)-3,5-difluoro-5-methylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name(5R)-3,5-difluoro-5-methylcyclohexa-1,3-dien-1-amine
PubChem CID173491482
Molecular FormulaC7H9F2N
Molecular Weight145.15 g/mol
Exact Mass145.07
IUPAC Name(5R)-3,5-difluoro-5-methylcyclohexa-1,3-dien-1-amine
SMILESC[C@]1(F)C=C(F)C=C(N)C1
InChIInChI=1S/C7H9F2N/c1-7(9)3-5(8)2-6(10)4-7/h2-3H,4,10H2,1H3/t7-/m0/s1
InChIKeyFXNVHXNGMCPBMS-ZETCQYMHSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R)-3,5-difluoro-5-methylcyclohexa-1,3-dien-1-amine?
The IUPAC name of (5R)-3,5-difluoro-5-methylcyclohexa-1,3-dien-1-amine (CID 173491482) is (5R)-3,5-difluoro-5-methylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for (5R)-3,5-difluoro-5-methylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for (5R)-3,5-difluoro-5-methylcyclohexa-1,3-dien-1-amine is C[C@]1(F)C=C(F)C=C(N)C1.
What is the InChIKey of (5R)-3,5-difluoro-5-methylcyclohexa-1,3-dien-1-amine?
The InChIKey is FXNVHXNGMCPBMS-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H9F2N/c1-7(9)3-5(8)2-6(10)4-7/h2-3H,4,10H2,1H3/t7-/m0/s1.
What are the key properties of (5R)-3,5-difluoro-5-methylcyclohexa-1,3-dien-1-amine?
(5R)-3,5-difluoro-5-methylcyclohexa-1,3-dien-1-amine has a molecular weight of 145.15 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3,5-difluoro-5-methylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 173491482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).