1-fluoro-4-prop-2-enylbenzene;methanamine

C10H14FN — CID 143096990

IUPAC1-fluoro-4-prop-2-enylbenzene;methanamine
SMILESC=CCc1ccc(F)cc1.CN
InChIInChI=1S/C9H9F.CH5N/c1-2-3-8-4-6-9(10)7-5-8;1-2/h2,4-7H,1,3H2;2H2,1H3
InChIKeyGVXMCRVEZWTDEE-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.13
Rot. Bonds2

About 1-fluoro-4-prop-2-enylbenzene;methanamine

1-fluoro-4-prop-2-enylbenzene;methanamine (PubChem CID 143096990) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 1-fluoro-4-prop-2-enylbenzene;methanamine.

Molecular Properties

Compound Name1-fluoro-4-prop-2-enylbenzene;methanamine
PubChem CID143096990
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name1-fluoro-4-prop-2-enylbenzene;methanamine
SMILESC=CCc1ccc(F)cc1.CN
InChIInChI=1S/C9H9F.CH5N/c1-2-3-8-4-6-9(10)7-5-8;1-2/h2,4-7H,1,3H2;2H2,1H3
InChIKeyGVXMCRVEZWTDEE-UHFFFAOYSA-N
XLogP2.13
TPSA26.02 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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-but-2-enyl]-4-fluorobenzene
CID 13240703
1-methylsulfanyl-4-prop-2-enylbenzene
CID 2760094
bis(1-prop-2-enyl-4-(4-prop-2-enylphenyl)benzene);hydrate
CID 174815878
methane;1-methyl-4-prop-2-enylbenzene
CID 165001357
2-(4-fluorophenyl)acetaldehyde;propane
CID 142055613
4-[4-(4-prop-2-enylphenyl)phenyl]aniline
CID 123704346
1,3-difluoro-5-[4-(4-prop-2-enylphenyl)phenyl]-2-(3,4,5-trifluorophenyl)benzene
CID 122659421
1-(4-fluorophenyl)-N-[3-(4-prop-2-enylphenyl)propyl]propan-2-amine;molecular hydrogen;hydrate
CID 170631487
2-fluoro-1-methyl-4-prop-2-enylbenzene
CID 2759034
N,N'-bis(4-prop-2-enylphenyl)ethane-1,2-diamine
CID 67265564
1-prop-2-enyl-4-[2-(4-prop-2-enylphenyl)propan-2-yl]benzene
CID 123358089
1-[bis(4-fluorophenyl)methyl]-4-(4-prop-2-enylphenyl)piperazine
CID 141151305

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-prop-2-enylbenzene;methanamine?
The IUPAC name of 1-fluoro-4-prop-2-enylbenzene;methanamine (CID 143096990) is 1-fluoro-4-prop-2-enylbenzene;methanamine.
What is the SMILES notation for 1-fluoro-4-prop-2-enylbenzene;methanamine?
The canonical SMILES for 1-fluoro-4-prop-2-enylbenzene;methanamine is C=CCc1ccc(F)cc1.CN.
What is the InChIKey of 1-fluoro-4-prop-2-enylbenzene;methanamine?
The InChIKey is GVXMCRVEZWTDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F.CH5N/c1-2-3-8-4-6-9(10)7-5-8;1-2/h2,4-7H,1,3H2;2H2,1H3.
What are the key properties of 1-fluoro-4-prop-2-enylbenzene;methanamine?
1-fluoro-4-prop-2-enylbenzene;methanamine has a molecular weight of 167.23 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-prop-2-enylbenzene;methanamine is sourced from PubChem (CID 143096990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).