2-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-amine

C8H12FN — CID 70479839

IUPAC2-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-amine
SMILESCC1(C)C=CC=C(F)C1N
InChIInChI=1S/C8H12FN/c1-8(2)5-3-4-6(9)7(8)10/h3-5,7H,10H2,1-2H3
InChIKeyGUIAUGOUNKPKPS-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.76
Rot. Bonds

About 2-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-amine

2-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-amine (PubChem CID 70479839) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 2-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name2-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-amine
PubChem CID70479839
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name2-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-amine
SMILESCC1(C)C=CC=C(F)C1N
InChIInChI=1S/C8H12FN/c1-8(2)5-3-4-6(9)7(8)10/h3-5,7H,10H2,1-2H3
InChIKeyGUIAUGOUNKPKPS-UHFFFAOYSA-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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Related Compounds

(r)-4-Fluoro-1-methylbenzylamine
CID 129850911
4-Fluoro-1-methylbenzylamine
CID 129851226
1-Methylphenylmethylamine
CID 20261165
(R)-(+)-1-Methylbenzylamine
CID 56924128
(s)-1-Methylbenzylamine
CID 66996847
2-Fluoro-2-methylaniline
CID 22273309
6-Methyl-6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 67321718
3-Fluoro-6-methylcyclohexa-2,4-dien-1-amine
CID 68045101
3,6-Difluoro-6-methylcyclohexa-2,4-dien-1-amine
CID 69362924
(5E)-5-fluoro-3,3-dimethylhepta-1,5-dien-4-amine
CID 89160188
[(1R)-4-fluoro-1,6-dimethylcyclohexa-2,4-dien-1-yl]methanamine
CID 89243162
1-[4-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanamine
CID 89385189

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 2-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-amine (CID 70479839) is 2-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 2-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 2-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-amine is CC1(C)C=CC=C(F)C1N.
What is the InChIKey of 2-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-amine?
The InChIKey is GUIAUGOUNKPKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-8(2)5-3-4-6(9)7(8)10/h3-5,7H,10H2,1-2H3.
What are the key properties of 2-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-amine?
2-fluoro-6,6-dimethylcyclohexa-2,4-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 2-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 70479839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).