(4S)-4-fluoro-3,5-dimethylcyclohexa-1,5-dien-1-amine

C8H12FN — CID 118616269

IUPAC(4S)-4-fluoro-3,5-dimethylcyclohexa-1,5-dien-1-amine
SMILESCC1=CC(N)=CC(C)[C@@H]1F
InChIInChI=1S/C8H12FN/c1-5-3-7(10)4-6(2)8(5)9/h3-5,8H,10H2,1-2H3/t5?,8-/m0/s1
InChIKeyKSXSGJAMGRAJOJ-DWHDZERNSA-N
MW141.19 g/mol
LogP1.76
Rot. Bonds

About (4S)-4-fluoro-3,5-dimethylcyclohexa-1,5-dien-1-amine

(4S)-4-fluoro-3,5-dimethylcyclohexa-1,5-dien-1-amine (PubChem CID 118616269) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (4S)-4-fluoro-3,5-dimethylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name(4S)-4-fluoro-3,5-dimethylcyclohexa-1,5-dien-1-amine
PubChem CID118616269
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(4S)-4-fluoro-3,5-dimethylcyclohexa-1,5-dien-1-amine
SMILESCC1=CC(N)=CC(C)[C@@H]1F
InChIInChI=1S/C8H12FN/c1-5-3-7(10)4-6(2)8(5)9/h3-5,8H,10H2,1-2H3/t5?,8-/m0/s1
InChIKeyKSXSGJAMGRAJOJ-DWHDZERNSA-N
XLogP1.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-fluoro-3,5-dimethylcyclohexa-1,5-dien-1-amine?
The IUPAC name of (4S)-4-fluoro-3,5-dimethylcyclohexa-1,5-dien-1-amine (CID 118616269) is (4S)-4-fluoro-3,5-dimethylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for (4S)-4-fluoro-3,5-dimethylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for (4S)-4-fluoro-3,5-dimethylcyclohexa-1,5-dien-1-amine is CC1=CC(N)=CC(C)[C@@H]1F.
What is the InChIKey of (4S)-4-fluoro-3,5-dimethylcyclohexa-1,5-dien-1-amine?
The InChIKey is KSXSGJAMGRAJOJ-DWHDZERNSA-N. The full InChI is InChI=1S/C8H12FN/c1-5-3-7(10)4-6(2)8(5)9/h3-5,8H,10H2,1-2H3/t5?,8-/m0/s1.
What are the key properties of (4S)-4-fluoro-3,5-dimethylcyclohexa-1,5-dien-1-amine?
(4S)-4-fluoro-3,5-dimethylcyclohexa-1,5-dien-1-amine has a molecular weight of 141.19 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-fluoro-3,5-dimethylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 118616269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).