(4-fluorocyclohexa-1,5-dien-1-yl)methanamine

C7H10FN — CID 89090864

IUPAC(4-fluorocyclohexa-1,5-dien-1-yl)methanamine
SMILESNCC1=CCC(F)C=C1
InChIInChI=1S/C7H10FN/c8-7-3-1-6(5-9)2-4-7/h1-3,7H,4-5,9H2
InChIKeyZHQWMNJOALYHJS-UHFFFAOYSA-N
MW127.16 g/mol
LogP1.17
Rot. Bonds1

About (4-fluorocyclohexa-1,5-dien-1-yl)methanamine

(4-fluorocyclohexa-1,5-dien-1-yl)methanamine (PubChem CID 89090864) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is (4-fluorocyclohexa-1,5-dien-1-yl)methanamine.

Molecular Properties

Compound Name(4-fluorocyclohexa-1,5-dien-1-yl)methanamine
PubChem CID89090864
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name(4-fluorocyclohexa-1,5-dien-1-yl)methanamine
SMILESNCC1=CCC(F)C=C1
InChIInChI=1S/C7H10FN/c8-7-3-1-6(5-9)2-4-7/h1-3,7H,4-5,9H2
InChIKeyZHQWMNJOALYHJS-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclohexa-1,4-dien-1-ylmethanamine
CID 21442526
3,4-Dihydrobenzylamine
CID 21950499
2-Methyleneaniline
CID 70393655
2-Fluoro-2-methylaniline
CID 22273309
6-Fluorocyclohexa-2,4-dien-1-amine
CID 23505185
3-Fluoro-4-methylcyclohexa-2,4-dien-1-amine
CID 67710936
4-Fluorocyclohexa-2,4-dien-1-amine
CID 68016326
(4-Fluorocyclohexa-2,4-dien-1-yl)methanamine
CID 68240582
(1,4-Difluorocyclohexa-2,4-dien-1-yl)methanamine
CID 69051450
4-Fluoro-4-fluorobenzylamine
CID 70144286
(3,4-Difluorocyclohexa-1,5-dien-1-yl)methanamine
CID 70311731
1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine
CID 70372203

Frequently Asked Questions

What is the IUPAC name of (4-fluorocyclohexa-1,5-dien-1-yl)methanamine?
The IUPAC name of (4-fluorocyclohexa-1,5-dien-1-yl)methanamine (CID 89090864) is (4-fluorocyclohexa-1,5-dien-1-yl)methanamine.
What is the SMILES notation for (4-fluorocyclohexa-1,5-dien-1-yl)methanamine?
The canonical SMILES for (4-fluorocyclohexa-1,5-dien-1-yl)methanamine is NCC1=CCC(F)C=C1.
What is the InChIKey of (4-fluorocyclohexa-1,5-dien-1-yl)methanamine?
The InChIKey is ZHQWMNJOALYHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c8-7-3-1-6(5-9)2-4-7/h1-3,7H,4-5,9H2.
What are the key properties of (4-fluorocyclohexa-1,5-dien-1-yl)methanamine?
(4-fluorocyclohexa-1,5-dien-1-yl)methanamine has a molecular weight of 127.16 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorocyclohexa-1,5-dien-1-yl)methanamine is sourced from PubChem (CID 89090864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).