(1S)-N-ethenyl-4-fluoro-7-methylcyclohepta-2,4-dien-1-amine

C10H14FN — CID 166158127

IUPAC(1S)-N-ethenyl-4-fluoro-7-methylcyclohepta-2,4-dien-1-amine
SMILESC=CN[C@@H]1C=CC(F)=CCC1C
InChIInChI=1S/C10H14FN/c1-3-12-10-7-6-9(11)5-4-8(10)2/h3,5-8,10,12H,1,4H2,2H3/t8?,10-/m1/s1
InChIKeyIFOJMEKBYMMSAS-LHIURRSHSA-N
MW167.23 g/mol
LogP2.54
Rot. Bonds2

About (1S)-N-ethenyl-4-fluoro-7-methylcyclohepta-2,4-dien-1-amine

(1S)-N-ethenyl-4-fluoro-7-methylcyclohepta-2,4-dien-1-amine (PubChem CID 166158127) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is (1S)-N-ethenyl-4-fluoro-7-methylcyclohepta-2,4-dien-1-amine.

Molecular Properties

Compound Name(1S)-N-ethenyl-4-fluoro-7-methylcyclohepta-2,4-dien-1-amine
PubChem CID166158127
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name(1S)-N-ethenyl-4-fluoro-7-methylcyclohepta-2,4-dien-1-amine
SMILESC=CN[C@@H]1C=CC(F)=CCC1C
InChIInChI=1S/C10H14FN/c1-3-12-10-7-6-9(11)5-4-8(10)2/h3,5-8,10,12H,1,4H2,2H3/t8?,10-/m1/s1
InChIKeyIFOJMEKBYMMSAS-LHIURRSHSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-ethenyl-4-fluoro-7-methylcyclohepta-2,4-dien-1-amine?
The IUPAC name of (1S)-N-ethenyl-4-fluoro-7-methylcyclohepta-2,4-dien-1-amine (CID 166158127) is (1S)-N-ethenyl-4-fluoro-7-methylcyclohepta-2,4-dien-1-amine.
What is the SMILES notation for (1S)-N-ethenyl-4-fluoro-7-methylcyclohepta-2,4-dien-1-amine?
The canonical SMILES for (1S)-N-ethenyl-4-fluoro-7-methylcyclohepta-2,4-dien-1-amine is C=CN[C@@H]1C=CC(F)=CCC1C.
What is the InChIKey of (1S)-N-ethenyl-4-fluoro-7-methylcyclohepta-2,4-dien-1-amine?
The InChIKey is IFOJMEKBYMMSAS-LHIURRSHSA-N. The full InChI is InChI=1S/C10H14FN/c1-3-12-10-7-6-9(11)5-4-8(10)2/h3,5-8,10,12H,1,4H2,2H3/t8?,10-/m1/s1.
What are the key properties of (1S)-N-ethenyl-4-fluoro-7-methylcyclohepta-2,4-dien-1-amine?
(1S)-N-ethenyl-4-fluoro-7-methylcyclohepta-2,4-dien-1-amine has a molecular weight of 167.23 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-ethenyl-4-fluoro-7-methylcyclohepta-2,4-dien-1-amine is sourced from PubChem (CID 166158127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).