(6S)-4-fluoro-N,1,6-trimethylcyclohexa-2,4-dien-1-amine

C9H14FN — CID 134365554

IUPAC(6S)-4-fluoro-N,1,6-trimethylcyclohexa-2,4-dien-1-amine
SMILESCNC1(C)C=CC(F)=C[C@@H]1C
InChIInChI=1S/C9H14FN/c1-7-6-8(10)4-5-9(7,2)11-3/h4-7,11H,1-3H3/t7-,9?/m0/s1
InChIKeyQJGYTIGEOUCFCC-JAVCKPHESA-N
MW155.22 g/mol
LogP2.02
Rot. Bonds1

About (6S)-4-fluoro-N,1,6-trimethylcyclohexa-2,4-dien-1-amine

(6S)-4-fluoro-N,1,6-trimethylcyclohexa-2,4-dien-1-amine (PubChem CID 134365554) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is (6S)-4-fluoro-N,1,6-trimethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(6S)-4-fluoro-N,1,6-trimethylcyclohexa-2,4-dien-1-amine
PubChem CID134365554
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name(6S)-4-fluoro-N,1,6-trimethylcyclohexa-2,4-dien-1-amine
SMILESCNC1(C)C=CC(F)=C[C@@H]1C
InChIInChI=1S/C9H14FN/c1-7-6-8(10)4-5-9(7,2)11-3/h4-7,11H,1-3H3/t7-,9?/m0/s1
InChIKeyQJGYTIGEOUCFCC-JAVCKPHESA-N
XLogP2.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluorocyclohexa-2,4-dien-1-yl)-N-methylpropan-2-amine
CID 89939516
7-fluoro-2,3,5a,9a-tetrahydro-1H-2-benzazepine
CID 91387274
1-(4-fluorocyclohexa-2,4-dien-1-yl)-N-methylmethanamine
CID 138478275
2,2-diethyl-5-fluoro-1H-pyridine
CID 138478316
4-fluoro-1-methyl-N-propylcyclohexa-2,4-dien-1-amine
CID 143108220
4-ethenyl-6-fluoro-N-methylcyclohexa-1,5-dien-1-amine
CID 146550589
(4Z)-6-fluoro-N,3-dimethylhepta-4,6-dien-2-amine
CID 153166821
4-N,4-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine
CID 154453767
1-fluoro-N-propylcyclohexa-2,4-dien-1-amine
CID 163416951
4-fluoro-6-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 166888372
(4Z)-N-ethyl-5-fluoro-2-methylhepta-4,6-dien-3-amine
CID 143143069
(4Z,6E)-6-fluoro-N,2-dimethylnona-4,6,8-trien-2-amine
CID 143410980

Frequently Asked Questions

What is the IUPAC name of (6S)-4-fluoro-N,1,6-trimethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of (6S)-4-fluoro-N,1,6-trimethylcyclohexa-2,4-dien-1-amine (CID 134365554) is (6S)-4-fluoro-N,1,6-trimethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for (6S)-4-fluoro-N,1,6-trimethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for (6S)-4-fluoro-N,1,6-trimethylcyclohexa-2,4-dien-1-amine is CNC1(C)C=CC(F)=C[C@@H]1C.
What is the InChIKey of (6S)-4-fluoro-N,1,6-trimethylcyclohexa-2,4-dien-1-amine?
The InChIKey is QJGYTIGEOUCFCC-JAVCKPHESA-N. The full InChI is InChI=1S/C9H14FN/c1-7-6-8(10)4-5-9(7,2)11-3/h4-7,11H,1-3H3/t7-,9?/m0/s1.
What are the key properties of (6S)-4-fluoro-N,1,6-trimethylcyclohexa-2,4-dien-1-amine?
(6S)-4-fluoro-N,1,6-trimethylcyclohexa-2,4-dien-1-amine has a molecular weight of 155.22 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-fluoro-N,1,6-trimethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 134365554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).