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

C8H12FN — CID 129171467

IUPAC(5-fluoro-2-methylcyclohexa-1,3-dien-1-yl)methanamine
SMILESCC1=C(CN)CC(F)C=C1
InChIInChI=1S/C8H12FN/c1-6-2-3-8(9)4-7(6)5-10/h2-3,8H,4-5,10H2,1H3
InChIKeyRGABFABQSRXRTR-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.56
Rot. Bonds1

About (5-fluoro-2-methylcyclohexa-1,3-dien-1-yl)methanamine

(5-fluoro-2-methylcyclohexa-1,3-dien-1-yl)methanamine (PubChem CID 129171467) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (5-fluoro-2-methylcyclohexa-1,3-dien-1-yl)methanamine.

Molecular Properties

Compound Name(5-fluoro-2-methylcyclohexa-1,3-dien-1-yl)methanamine
PubChem CID129171467
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(5-fluoro-2-methylcyclohexa-1,3-dien-1-yl)methanamine
SMILESCC1=C(CN)CC(F)C=C1
InChIInChI=1S/C8H12FN/c1-6-2-3-8(9)4-7(6)5-10/h2-3,8H,4-5,10H2,1H3
InChIKeyRGABFABQSRXRTR-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylcyclohexa-1,3-dien-1-yl)methanamine?
The IUPAC name of (5-fluoro-2-methylcyclohexa-1,3-dien-1-yl)methanamine (CID 129171467) is (5-fluoro-2-methylcyclohexa-1,3-dien-1-yl)methanamine.
What is the SMILES notation for (5-fluoro-2-methylcyclohexa-1,3-dien-1-yl)methanamine?
The canonical SMILES for (5-fluoro-2-methylcyclohexa-1,3-dien-1-yl)methanamine is CC1=C(CN)CC(F)C=C1.
What is the InChIKey of (5-fluoro-2-methylcyclohexa-1,3-dien-1-yl)methanamine?
The InChIKey is RGABFABQSRXRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-6-2-3-8(9)4-7(6)5-10/h2-3,8H,4-5,10H2,1H3.
What are the key properties of (5-fluoro-2-methylcyclohexa-1,3-dien-1-yl)methanamine?
(5-fluoro-2-methylcyclohexa-1,3-dien-1-yl)methanamine has a molecular weight of 141.19 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylcyclohexa-1,3-dien-1-yl)methanamine is sourced from PubChem (CID 129171467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).