(Z)-1-fluoro-N,N-dimethyl-2-phenylethenamine

C10H12FN — CID 134986277

IUPAC(Z)-1-fluoro-N,N-dimethyl-2-phenylethenamine
SMILESCN(C)/C(F)=C/c1ccccc1
InChIInChI=1S/C10H12FN/c1-12(2)10(11)8-9-6-4-3-5-7-9/h3-8H,1-2H3/b10-8+
InChIKeyLDNRLYFGFHDROB-CSKARUKUSA-N
MW165.21 g/mol
LogP2.52
Rot. Bonds2

About (Z)-1-fluoro-N,N-dimethyl-2-phenylethenamine

(Z)-1-fluoro-N,N-dimethyl-2-phenylethenamine (PubChem CID 134986277) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is (Z)-1-fluoro-N,N-dimethyl-2-phenylethenamine.

Molecular Properties

Compound Name(Z)-1-fluoro-N,N-dimethyl-2-phenylethenamine
PubChem CID134986277
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name(Z)-1-fluoro-N,N-dimethyl-2-phenylethenamine
SMILESCN(C)/C(F)=C/c1ccccc1
InChIInChI=1S/C10H12FN/c1-12(2)10(11)8-9-6-4-3-5-7-9/h3-8H,1-2H3/b10-8+
InChIKeyLDNRLYFGFHDROB-CSKARUKUSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-fluoro-N,N-dimethyl-2-phenylethenamine?
The IUPAC name of (Z)-1-fluoro-N,N-dimethyl-2-phenylethenamine (CID 134986277) is (Z)-1-fluoro-N,N-dimethyl-2-phenylethenamine.
What is the SMILES notation for (Z)-1-fluoro-N,N-dimethyl-2-phenylethenamine?
The canonical SMILES for (Z)-1-fluoro-N,N-dimethyl-2-phenylethenamine is CN(C)/C(F)=C/c1ccccc1.
What is the InChIKey of (Z)-1-fluoro-N,N-dimethyl-2-phenylethenamine?
The InChIKey is LDNRLYFGFHDROB-CSKARUKUSA-N. The full InChI is InChI=1S/C10H12FN/c1-12(2)10(11)8-9-6-4-3-5-7-9/h3-8H,1-2H3/b10-8+.
What are the key properties of (Z)-1-fluoro-N,N-dimethyl-2-phenylethenamine?
(Z)-1-fluoro-N,N-dimethyl-2-phenylethenamine has a molecular weight of 165.21 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-fluoro-N,N-dimethyl-2-phenylethenamine is sourced from PubChem (CID 134986277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).