5-fluoro-2-methylcyclohexa-1,5-dien-1-amine

C7H10FN — CID 163963142

IUPAC5-fluoro-2-methylcyclohexa-1,5-dien-1-amine
SMILESCC1=C(N)C=C(F)CC1
InChIInChI=1S/C7H10FN/c1-5-2-3-6(8)4-7(5)9/h4H,2-3,9H2,1H3
InChIKeySJGKTUOVWHHSRT-UHFFFAOYSA-N
MW127.16 g/mol
LogP1.87
Rot. Bonds

About 5-fluoro-2-methylcyclohexa-1,5-dien-1-amine

5-fluoro-2-methylcyclohexa-1,5-dien-1-amine (PubChem CID 163963142) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 5-fluoro-2-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name5-fluoro-2-methylcyclohexa-1,5-dien-1-amine
PubChem CID163963142
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name5-fluoro-2-methylcyclohexa-1,5-dien-1-amine
SMILESCC1=C(N)C=C(F)CC1
InChIInChI=1S/C7H10FN/c1-5-2-3-6(8)4-7(5)9/h4H,2-3,9H2,1H3
InChIKeySJGKTUOVWHHSRT-UHFFFAOYSA-N
XLogP1.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(Fluoromethyl)cyclohexa-1,3-dien-1-amine
CID 57861961
5-Fluoro-6-methylcyclohexa-1,5-dien-1-amine
CID 68217515
5-Fluoro-4-methylcyclohexa-1,3-dien-1-amine
CID 68231402
5-Fluoro-2-methylcyclohexa-1,3-dien-1-amine
CID 68244865
4-Fluorocyclohexa-1,5-dien-1-amine
CID 68342081
5-Fluorocyclohexa-1,5-dien-1-amine
CID 68342260
(3E,5Z)-2-fluoro-5-methylhepta-1,3,5-trien-4-amine
CID 88575399
(1Z)-1-[(6Z)-4-fluoro-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]-2-methylpropan-1-amine
CID 89202280
(3E,5E)-6-fluoro-5-methylhepta-1,3,5-trien-3-amine
CID 89214934
(E,1E)-4,4,4-trifluoro-3-methyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-en-1-amine
CID 89989497
4-Fluoro-4-methylcyclohexa-1,5-dien-1-amine
CID 117734555
4-(Trifluoromethyl)cyclohexa-1,3-diene-1,2-diamine
CID 118509821

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 5-fluoro-2-methylcyclohexa-1,5-dien-1-amine (CID 163963142) is 5-fluoro-2-methylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 5-fluoro-2-methylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 5-fluoro-2-methylcyclohexa-1,5-dien-1-amine is CC1=C(N)C=C(F)CC1.
What is the InChIKey of 5-fluoro-2-methylcyclohexa-1,5-dien-1-amine?
The InChIKey is SJGKTUOVWHHSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c1-5-2-3-6(8)4-7(5)9/h4H,2-3,9H2,1H3.
What are the key properties of 5-fluoro-2-methylcyclohexa-1,5-dien-1-amine?
5-fluoro-2-methylcyclohexa-1,5-dien-1-amine has a molecular weight of 127.16 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 163963142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).