(2-fluorocyclohepta-1,3,6-trien-1-yl)methanamine

C8H10FN — CID 142131672

IUPAC(2-fluorocyclohepta-1,3,6-trien-1-yl)methanamine
SMILESNCC1=C(F)C=CCC=C1
InChIInChI=1S/C8H10FN/c9-8-5-3-1-2-4-7(8)6-10/h2-5H,1,6,10H2
InChIKeyRNDZTOQAIDBZKD-UHFFFAOYSA-N
MW139.17 g/mol
LogP1.68
Rot. Bonds1

About (2-fluorocyclohepta-1,3,6-trien-1-yl)methanamine

(2-fluorocyclohepta-1,3,6-trien-1-yl)methanamine (PubChem CID 142131672) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is (2-fluorocyclohepta-1,3,6-trien-1-yl)methanamine.

Molecular Properties

Compound Name(2-fluorocyclohepta-1,3,6-trien-1-yl)methanamine
PubChem CID142131672
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name(2-fluorocyclohepta-1,3,6-trien-1-yl)methanamine
SMILESNCC1=C(F)C=CCC=C1
InChIInChI=1S/C8H10FN/c9-8-5-3-1-2-4-7(8)6-10/h2-5H,1,6,10H2
InChIKeyRNDZTOQAIDBZKD-UHFFFAOYSA-N
XLogP1.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Ethenylhexa-3,5-dien-1-amine
CID 130019176
4-Fluoro-4-fluorobenzylamine
CID 70144286
(3,4-Difluorocyclohexa-1,5-dien-1-yl)methanamine
CID 70311731
(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 88224148
(2E)-2-[(E)-2-chloro-3-fluoroprop-1-enyl]penta-2,4-dien-1-amine
CID 88266399
(2E,4E)-5-fluoro-4-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 88267041
(E)-4-fluoro-2-methylidenehex-3-en-1-amine
CID 88557724
(2E,4E)-5-fluoro-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 89084822
(Z)-5-fluoro-2-methylidenehept-3-en-1-amine
CID 89090828
(4-Fluorocyclohexa-1,5-dien-1-yl)methanamine
CID 89090864
(3E,5E)-6-fluoro-3-methylocta-3,5,7-trien-1-amine
CID 89099064
(E)-2-ethenyl-5-fluorohex-2-en-1-amine
CID 89126655

Frequently Asked Questions

What is the IUPAC name of (2-fluorocyclohepta-1,3,6-trien-1-yl)methanamine?
The IUPAC name of (2-fluorocyclohepta-1,3,6-trien-1-yl)methanamine (CID 142131672) is (2-fluorocyclohepta-1,3,6-trien-1-yl)methanamine.
What is the SMILES notation for (2-fluorocyclohepta-1,3,6-trien-1-yl)methanamine?
The canonical SMILES for (2-fluorocyclohepta-1,3,6-trien-1-yl)methanamine is NCC1=C(F)C=CCC=C1.
What is the InChIKey of (2-fluorocyclohepta-1,3,6-trien-1-yl)methanamine?
The InChIKey is RNDZTOQAIDBZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN/c9-8-5-3-1-2-4-7(8)6-10/h2-5H,1,6,10H2.
What are the key properties of (2-fluorocyclohepta-1,3,6-trien-1-yl)methanamine?
(2-fluorocyclohepta-1,3,6-trien-1-yl)methanamine has a molecular weight of 139.17 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorocyclohepta-1,3,6-trien-1-yl)methanamine is sourced from PubChem (CID 142131672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).