(3-fluorocyclohexa-1,3-dien-1-yl)methanamine

C7H10FN — CID 129171320

IUPAC(3-fluorocyclohexa-1,3-dien-1-yl)methanamine
SMILESNCC1=CC(F)=CCC1
InChIInChI=1S/C7H10FN/c8-7-3-1-2-6(4-7)5-9/h3-4H,1-2,5,9H2
InChIKeyHRODDCSXBNIYHX-UHFFFAOYSA-N
MW127.16 g/mol
LogP1.52
Rot. Bonds1

About (3-fluorocyclohexa-1,3-dien-1-yl)methanamine

(3-fluorocyclohexa-1,3-dien-1-yl)methanamine (PubChem CID 129171320) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is (3-fluorocyclohexa-1,3-dien-1-yl)methanamine.

Molecular Properties

Compound Name(3-fluorocyclohexa-1,3-dien-1-yl)methanamine
PubChem CID129171320
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name(3-fluorocyclohexa-1,3-dien-1-yl)methanamine
SMILESNCC1=CC(F)=CCC1
InChIInChI=1S/C7H10FN/c8-7-3-1-2-6(4-7)5-9/h3-4H,1-2,5,9H2
InChIKeyHRODDCSXBNIYHX-UHFFFAOYSA-N
XLogP1.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclohex-1-ene-1-methylamine
CID 118360
2-(4-Fluorocyclohexa-1,3-dien-1-yl)ethanamine
CID 68342135
2-Fluoro-5-methylcyclohexa-2,4-dien-1-amine
CID 68390722
4-Fluoro-4-fluorobenzylamine
CID 70144286
(3-Chloro-4-fluorocyclohexa-1,3-dien-1-yl)methanamine
CID 70310852
(3,4-Difluorocyclohexa-1,5-dien-1-yl)methanamine
CID 70311731
(6-Fluorocyclohexa-1,3,4-trien-1-yl)methanamine
CID 88561653
(4-Fluorocyclohexa-1,5-dien-1-yl)methanamine
CID 89090864
1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine
CID 89097623
(4-Fluorocyclohexen-1-yl)methanamine
CID 89126657
5-(Fluoromethyl)cyclohexa-2,4-dien-1-amine
CID 89153628
(6-Fluorocyclohexa-1,3-dien-1-yl)methanamine
CID 89165278

Frequently Asked Questions

What is the IUPAC name of (3-fluorocyclohexa-1,3-dien-1-yl)methanamine?
The IUPAC name of (3-fluorocyclohexa-1,3-dien-1-yl)methanamine (CID 129171320) is (3-fluorocyclohexa-1,3-dien-1-yl)methanamine.
What is the SMILES notation for (3-fluorocyclohexa-1,3-dien-1-yl)methanamine?
The canonical SMILES for (3-fluorocyclohexa-1,3-dien-1-yl)methanamine is NCC1=CC(F)=CCC1.
What is the InChIKey of (3-fluorocyclohexa-1,3-dien-1-yl)methanamine?
The InChIKey is HRODDCSXBNIYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c8-7-3-1-2-6(4-7)5-9/h3-4H,1-2,5,9H2.
What are the key properties of (3-fluorocyclohexa-1,3-dien-1-yl)methanamine?
(3-fluorocyclohexa-1,3-dien-1-yl)methanamine has a molecular weight of 127.16 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorocyclohexa-1,3-dien-1-yl)methanamine is sourced from PubChem (CID 129171320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).