4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]cyclohexa-1,3-dien-1-amine

C10H14FN — CID 142561426

IUPAC4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]cyclohexa-1,3-dien-1-amine
SMILESC/C=C\C1=C(NC)CCC(F)=C1
InChIInChI=1S/C10H14FN/c1-3-4-8-7-9(11)5-6-10(8)12-2/h3-4,7,12H,5-6H2,1-2H3/b4-3-
InChIKeyUTPAREFAXUIWLB-ARJAWSKDSA-N
MW167.23 g/mol
LogP2.68
Rot. Bonds2

About 4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]cyclohexa-1,3-dien-1-amine

4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]cyclohexa-1,3-dien-1-amine (PubChem CID 142561426) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]cyclohexa-1,3-dien-1-amine
PubChem CID142561426
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]cyclohexa-1,3-dien-1-amine
SMILESC/C=C\C1=C(NC)CCC(F)=C1
InChIInChI=1S/C10H14FN/c1-3-4-8-7-9(11)5-6-10(8)12-2/h3-4,7,12H,5-6H2,1-2H3/b4-3-
InChIKeyUTPAREFAXUIWLB-ARJAWSKDSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]cyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]cyclohexa-1,3-dien-1-amine (CID 142561426) is 4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]cyclohexa-1,3-dien-1-amine is C/C=C\C1=C(NC)CCC(F)=C1.
What is the InChIKey of 4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]cyclohexa-1,3-dien-1-amine?
The InChIKey is UTPAREFAXUIWLB-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H14FN/c1-3-4-8-7-9(11)5-6-10(8)12-2/h3-4,7,12H,5-6H2,1-2H3/b4-3-.
What are the key properties of 4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]cyclohexa-1,3-dien-1-amine?
4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]cyclohexa-1,3-dien-1-amine has a molecular weight of 167.23 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 142561426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).