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

C8H12FNO — CID 163434503

IUPAC(2-fluoro-5-methoxycyclohexa-1,3-dien-1-yl)methanamine
SMILESCOC1C=CC(F)=C(CN)C1
InChIInChI=1S/C8H12FNO/c1-11-7-2-3-8(9)6(4-7)5-10/h2-3,7H,4-5,10H2,1H3
InChIKeyATHISOGERGWWOS-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.14
Rot. Bonds2

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

(2-fluoro-5-methoxycyclohexa-1,3-dien-1-yl)methanamine (PubChem CID 163434503) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is (2-fluoro-5-methoxycyclohexa-1,3-dien-1-yl)methanamine.

Molecular Properties

Compound Name(2-fluoro-5-methoxycyclohexa-1,3-dien-1-yl)methanamine
PubChem CID163434503
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name(2-fluoro-5-methoxycyclohexa-1,3-dien-1-yl)methanamine
SMILESCOC1C=CC(F)=C(CN)C1
InChIInChI=1S/C8H12FNO/c1-11-7-2-3-8(9)6(4-7)5-10/h2-3,7H,4-5,10H2,1H3
InChIKeyATHISOGERGWWOS-UHFFFAOYSA-N
XLogP1.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methoxycyclohexa-1,3-dien-1-yl)methanamine?
The IUPAC name of (2-fluoro-5-methoxycyclohexa-1,3-dien-1-yl)methanamine (CID 163434503) is (2-fluoro-5-methoxycyclohexa-1,3-dien-1-yl)methanamine.
What is the SMILES notation for (2-fluoro-5-methoxycyclohexa-1,3-dien-1-yl)methanamine?
The canonical SMILES for (2-fluoro-5-methoxycyclohexa-1,3-dien-1-yl)methanamine is COC1C=CC(F)=C(CN)C1.
What is the InChIKey of (2-fluoro-5-methoxycyclohexa-1,3-dien-1-yl)methanamine?
The InChIKey is ATHISOGERGWWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO/c1-11-7-2-3-8(9)6(4-7)5-10/h2-3,7H,4-5,10H2,1H3.
What are the key properties of (2-fluoro-5-methoxycyclohexa-1,3-dien-1-yl)methanamine?
(2-fluoro-5-methoxycyclohexa-1,3-dien-1-yl)methanamine has a molecular weight of 157.19 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methoxycyclohexa-1,3-dien-1-yl)methanamine is sourced from PubChem (CID 163434503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).