(2-fluoro-3-methylcyclohexa-1,3-dien-1-yl)methanamine

C8H12FN — CID 144912486

IUPAC(2-fluoro-3-methylcyclohexa-1,3-dien-1-yl)methanamine
SMILESCC1=CCCC(CN)=C1F
InChIInChI=1S/C8H12FN/c1-6-3-2-4-7(5-10)8(6)9/h3H,2,4-5,10H2,1H3
InChIKeyKZDSHGFWYXLJHH-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.91
Rot. Bonds1

About (2-fluoro-3-methylcyclohexa-1,3-dien-1-yl)methanamine

(2-fluoro-3-methylcyclohexa-1,3-dien-1-yl)methanamine (PubChem CID 144912486) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (2-fluoro-3-methylcyclohexa-1,3-dien-1-yl)methanamine.

Molecular Properties

Compound Name(2-fluoro-3-methylcyclohexa-1,3-dien-1-yl)methanamine
PubChem CID144912486
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(2-fluoro-3-methylcyclohexa-1,3-dien-1-yl)methanamine
SMILESCC1=CCCC(CN)=C1F
InChIInChI=1S/C8H12FN/c1-6-3-2-4-7(5-10)8(6)9/h3H,2,4-5,10H2,1H3
InChIKeyKZDSHGFWYXLJHH-UHFFFAOYSA-N
XLogP1.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methylcyclohexa-1,3-dien-1-yl)methanamine?
The IUPAC name of (2-fluoro-3-methylcyclohexa-1,3-dien-1-yl)methanamine (CID 144912486) is (2-fluoro-3-methylcyclohexa-1,3-dien-1-yl)methanamine.
What is the SMILES notation for (2-fluoro-3-methylcyclohexa-1,3-dien-1-yl)methanamine?
The canonical SMILES for (2-fluoro-3-methylcyclohexa-1,3-dien-1-yl)methanamine is CC1=CCCC(CN)=C1F.
What is the InChIKey of (2-fluoro-3-methylcyclohexa-1,3-dien-1-yl)methanamine?
The InChIKey is KZDSHGFWYXLJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-6-3-2-4-7(5-10)8(6)9/h3H,2,4-5,10H2,1H3.
What are the key properties of (2-fluoro-3-methylcyclohexa-1,3-dien-1-yl)methanamine?
(2-fluoro-3-methylcyclohexa-1,3-dien-1-yl)methanamine has a molecular weight of 141.19 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methylcyclohexa-1,3-dien-1-yl)methanamine is sourced from PubChem (CID 144912486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).